(E)-4-(2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid

Systemtic Name: (E)-4-(2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid Openeye Name: (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid CAS Name: (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)-2-butenoic acid IUPAC Name: (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid Traditional Name: (E)-4-(2-keto-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid Formula: C19H14N2O3 MolecularWeight: 318.32606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)CC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)C/C=C/C(=O)O

InChI

InChI=1S/C19H14N2O3/c22-17(23)12-6-11-16-19(24)21-15-10-5-4-9-14(15)18(20-16)13-7-2-1-3-8-13/h1-10,12H,11H2,(H,22,23)/b12-6+