(E)-3-(4-chlorophenyl)-N-(8-nitro-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-3-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-(8-nitro-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-3-yl)prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-(2-keto-8-nitro-1,3-dihydro-1,5-benzodiazepin-3-yl)acrylamide Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)Cl

InChI

InChI=1S/C18H13ClN4O4/c19-12-4-1-11(2-5-12)3-8-17(24)21-16-10-20-14-7-6-13(23(26)27)9-15(14)22-18(16)25/h1-10,16H,(H,21,24)(H,22,25)/b8-3+