methyl (E)-4-(2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoate Openeye Name: methyl (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoate CAS Name: (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoate Traditional Name: (E)-4-(2-keto-5-phenyl-1,4-benzodiazepin-3-yl)but-2-enoic acid methyl ester Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=NC(=C2C=CC=CC2=NC1=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/CC1=NC(=C2C=CC=CC2=NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3/c1-25-18(23)13-7-12-17-20(24)22-16-11-6-5-10-15(16)19(21-17)14-8-3-2-4-9-14/h2-11,13H,12H2,1H3/b13-7+