2-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzoic acid

Systemtic Name: 2-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzoic acid Openeye Name: 2-methoxy-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[oxo-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)methyl]benzoic acid IUPAC Name: 2-methoxy-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzoic acid Traditional Name: 4-(2-keto-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)-2-methoxy-benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H16N2O5/c1-25-15-10-11(6-7-12(15)18(23)24)17(22)20-9-8-16(21)19-13-4-2-3-5-14(13)20/h2-7,10H,8-9H2,1H3,(H,19,21)(H,23,24)