N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-cyano-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C27H18N6O3 MolecularWeight: 474.47022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N6O3/c28-16-21-25-27(30-23-12-5-4-11-22(23)29-25)32(17-19-7-2-1-3-8-19)26(21)31-24(34)14-13-18-9-6-10-20(15-18)33(35)36/h1-15H,17H2,(H,31,34)