16324405 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 7 1 1 2 2 3 4 5 5 5 6 6 6 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 14 14 15 15 16 17 17 18 19 19 20 21 21 22 22 23 24 24 24 25 26 26 27 27 27 16 26 27 7 7 8 16 35 20 24 41 23 9 11 28 10 29 30 12 31 32 13 14 13 33 34 15 17 36 18 37 19 18 38 39 20 21 22 23 40 25 42 25 26 43 44 45 46 47 48 49 50 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 8 5 9 11 28 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 6.3301 2.866 8.9282 9.7942 8.0622 5.4641 8.9282 8.0622 7.1962 7.1962 8.9282 8.0622 8.9282 9.8222 9.8222 7.1962 10.7282 10.7282 7.1962 6.3301 8.0622 6.3301 8.0622 4.5981 7.1962 3.732 2 7.5252 6.5856 6.9841 6.9841 6.5856 8.4607 7.6636 8.5991 9.815 9.815 11.2639 11.2639 8.5991 5.4641 5.7932 4.1996 4.9966 7.1962 4.1306 3.3335 2.31 1.4631 1.69 0.7327 -1.2673 -3.7673 -2.2673 0.7327 -0.7673 -2.7673 1.7327 2.2327 3.2327 2.2327 3.7327 3.2327 1.698 3.7673 0.2327 2.2118 3.2535 -0.7673 -1.2673 -1.2673 -2.2673 -2.2673 -1.2673 -2.7673 -0.7673 -0.7673 1.4227 2.3403 1.6501 3.8153 3.125 4.2076 4.2076 0.4227 1.078 4.3873 1.8998 3.5656 -0.9573 -0.1473 -2.5773 -1.7423 -1.7423 -3.3873 -0.2924 -0.2924 -0.2304 -0.4573 -1.3043 3 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 13 14 15 17 19 19 20 21 22 23 5 13 14 15 17 18 18 20 21 22 23 25 25 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 510 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003060C0000000000000C14000001E00140000000C28E1980632C082D044008902255253008200002502002888810864CA0A203AC0D591852188609600D8C9C71C88808E80008040001200000001008000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-N-tetralin-1-yl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-<I>N</I>-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-methoxyethylamino)-5-nitro-N-tetralin-1-yl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H23N3O4/c1-27-12-11-21-18-10-9-15(23(25)26)13-17(18)20(24)22-19-8-4-6-14-5-2-3-7-16(14)19/h2-3,5,7,9-10,13,19,21H,4,6,8,11-12H2,1H3,(H,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KMCVDMYSVHRKIF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.16885622 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCC3=CC=CC=C23 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCC3=CC=CC=C23 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.16885622 27 1 0 1 0 0 0 0 1 -1