(E)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(4-nitrophenyl)acrylamide Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O4/c1-28-21-10-6-5-9-20(21)23(18-7-3-2-4-8-18)27-24(25(28)31)26-22(30)16-13-17-11-14-19(15-12-17)29(32)33/h2-16,24H,1H3,(H,26,30)/b16-13+