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

Systemtic Name: 4-[(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)amino]-4-oxo-but-2-enoic acid CAS Name: 4-[(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)amino]-4-oxobut-2-enoic acid Traditional Name: 4-keto-4-[(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)amino]but-2-enoic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C=CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C=CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-13-19(14-7-3-2-4-8-14)20(23-17(24)11-12-18(25)26)22-16-10-6-5-9-15(16)21-13/h2-12,21H,1H3,(H,25,26)(H,22,23,24)