56696813 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 6 6 6 7 8 9 9 10 10 11 11 12 12 12 14 14 15 16 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 26 26 26 20 26 13 5 44 7 13 28 8 7 8 10 11 9 16 17 14 27 15 29 13 18 19 15 30 31 23 32 24 33 21 34 22 35 21 22 36 37 25 38 25 39 40 41 42 43 1 1 2 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 5 -1 3 8 6 9 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 2.866 6.3301 8.0622 7.1962 8.0622 8.9282 8.0622 8.9282 9.7942 9.7942 8.0622 5.4641 6.3301 9.7942 8.9282 10.6603 9.7942 4.5981 5.4641 3.732 3.732 4.5981 11.5263 10.6603 11.5263 2 10.3312 7.1962 7.5252 10.3312 8.9282 10.6603 9.2573 4.5981 6.001 3.1951 4.5981 12.0632 10.6603 12.0632 1.69 1.4631 2.31 7.5252 1 -2 2 -0.5 1 -0.5 -1 0.5 1 -1 -2 -0.5 -1 -2 -2.5 0.5 2 -1 0.5 0.5 -0.5 1 1 2.5 2 0.5 -0.69 0.12 -2.31 -2.31 -3.12 -0.12 2.31 -1.62 0.81 -0.81 1.62 0.69 3.12 2.31 1.0369 0.19 -0.0369 2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 9 9 10 11 12 12 14 16 17 18 19 20 20 23 24 7 10 11 16 17 14 15 18 19 15 23 24 21 22 21 22 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 480 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00140800000C0C81980232C682D00400A80325725000820800252200088801266CD80C26B2C4B59B84312864D411C8E98798DCC2CE20000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(E)-N-hydroxy-C-phenyl-carbonimidoyl]phenyl]-4-methoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(E)-hydroxyimino(phenyl)methyl]phenyl]-4-methoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-[(<I>E</I>)-<I>N</I>-hydroxy-<I>C</I>-phenylcarbonimidoyl]phenyl]-4-methoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-4-methoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-methoxy-N-[2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-methoxy-N-[2-[(E)-phenylcarbohydroximoyl]phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H18N2O3/c1-26-17-13-11-16(12-14-17)21(24)22-19-10-6-5-9-18(19)20(23-25)15-7-3-2-4-8-15/h2-14,25H,1H3,(H,22,24)/b23-20+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MVXVZTKNRIUIAV-BSYVCWPDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=NO)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2/C(=N/O)/C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.13174244 26 0 0 0 1 1 0 0 1 -1