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

Systemtic Name: (E)-N-(8-nitro-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-2-propenamide IUPAC Name: (E)-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(2-keto-8-nitro-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenyl-acrylamide Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4/c23-17(9-6-12-4-2-1-3-5-12)20-16-11-19-14-8-7-13(22(25)26)10-15(14)21-18(16)24/h1-11,16H,(H,20,23)(H,21,24)/b9-6+