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

Systemtic Name: N-(3-cyano-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(3-cyano-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-(3-cyano-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(3-cyano-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-(3-cyano-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C28H20N6O3 MolecularWeight: 488.4968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=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)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O3/c29-18-22-26-28(31-24-12-5-4-11-23(24)30-26)33(16-15-19-7-2-1-3-8-19)27(22)32-25(35)14-13-20-9-6-10-21(17-20)34(36)37/h1-14,17H,15-16H2,(H,32,35)