4-[(5-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid

Systemtic Name: 4-[(5-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid Openeye Name: 4-[(5-methoxy-2-oxo-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid CAS Name: 4-[(5-methoxy-2-oxo-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid IUPAC Name: 4-[(5-methoxy-2-oxo-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid Traditional Name: 4-[(2-keto-5-methoxy-4,5-dihydro-1H-1,4-benzodiazepin-3-ylidene)-(methylamino)methyl]benzoic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C1C(=O)NC2=CC=CC=C2C(N1)OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CNC(=C1C(=O)NC2=CC=CC=C2C(N1)OC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N3O4/c1-20-15(11-7-9-12(10-8-11)19(24)25)16-17(23)21-14-6-4-3-5-13(14)18(22-16)26-2/h3-10,18,20,22H,1-2H3,(H,21,23)(H,24,25)