3-[aminocarbonyl-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid

Systemtic Name: 3-[aminocarbonyl-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid Openeye Name: 3-[carbamoyl-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid CAS Name: 3-[carbamoyl-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid IUPAC Name: 3-[carbamoyl-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid Traditional Name: 3-[carbamoyl-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]benzoic acid Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC=CC(=C3)C(=O)O)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC=CC(=C3)C(=O)O)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4/c1-27-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(27)29)28(24(25)32)17-11-7-10-16(14-17)23(30)31/h2-14,21H,1H3,(H2,25,32)(H,30,31)