3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-10-(phenylazanylmethyl)benzo[b][1,4]benzodiazepine-1-carboxylic acid

Systemtic Name: 3-methoxy-4,7-dimethyl-9-oxidanyl-6-oxidanylidene-10-(phenylazanylmethyl)benzo[b][1,4]benzodiazepine-1-carboxylic acid Openeye Name: 10-(anilinomethyl)-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodiazepine-1-carboxylic acid CAS Name: 10-(anilinomethyl)-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[b][1,4]benzodiazepinecarboxylic acid IUPAC Name: 10-(anilinomethyl)-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodiazepine-1-carboxylic acid Traditional Name: 10-(anilinomethyl)-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodiazepine-1-carboxylic acid Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)C(=O)O)OC)C)CNC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)N=C3C(=C(C=C(C3=N2)C(=O)O)OC)C)CNC4=CC=CC=C4)O

InChI

InChI=1S/C24H21N3O5/c1-12-9-17(28)16(11-25-14-7-5-4-6-8-14)21-19(12)23(29)27-20-13(2)18(32-3)10-15(24(30)31)22(20)26-21/h4-10,25,28H,11H2,1-3H3,(H,30,31)