54783250 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 51 52 8 8 8 8 8 7 7 6 6 6 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 1 2 2 3 3 4 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 16 16 17 17 18 18 19 19 20 21 22 22 23 24 26 26 27 27 28 29 29 29 30 30 30 8 10 20 29 21 30 15 25 7 15 42 24 43 9 13 14 15 11 31 32 18 19 16 17 24 22 33 23 34 20 35 21 36 26 37 27 38 25 25 23 39 40 41 28 44 28 45 46 47 48 49 50 51 52 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 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 51 52 8.0622 6.3301 2.866 7.1962 4.5981 5.4641 5.4641 7.1962 6.3301 8.9282 9.7942 4.5981 7.1962 5.4641 6.3301 5.4641 3.732 9.7942 10.6603 5.4641 3.732 6.3301 5.4641 4.5981 4.5981 10.6603 11.5263 11.5263 7.1962 2 9.3267 8.5297 7.7331 4.9272 6.001 3.1951 9.2573 10.6603 6.3301 4.9272 4.0611 4.9272 6.001 10.6603 12.0632 12.0632 7.5062 7.7331 6.8862 2.31 1.4631 1.69 2.5 -3.5 -3.5 1 -4.5 1 0 3 2.5 3 2.5 -1.5 4 3 1.5 -2 -2 1.5 3 -3 -3 4.5 4 -0.5 -3.5 1 2.5 1.5 -3 -3 3.475 3.475 4.31 2.69 -1.69 -1.69 1.19 3.62 5.12 4.31 -0.19 1.31 -0.31 0.38 2.81 1.19 -3.5369 -2.69 -2.4631 -2.4631 -2.69 -3.5369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 11 11 13 14 18 19 22 26 27 9 13 14 18 19 22 23 26 27 23 28 28 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 680 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306080000000000000014000001E00180000000C04E198063206806204008802A15650028208002420021AA881460CC80C263684B51F823960E7E01108A98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-benzyloxy-N'-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-phenylmethoxybenzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-phenylmethoxybenzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-phenylmethoxybenzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenylmethoxy-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-benzoxy-N'-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H22N2O5/c1-28-20-12-17(13-21(29-2)22(20)26)14-24-25-23(27)18-10-6-7-11-19(18)30-15-16-8-4-3-5-9-16/h3-14,24H,15H2,1-2H3,(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VMTHFJOEDUMRQY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.15287181 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H22N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CNNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)C=C(C1=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CNNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)C=C(C1=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 85.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.15287181 30 0 0 0 0 0 0 0 1 -1