pentyl 1-(3-nitrophenyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 1-(3-nitrophenyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-(3-nitrophenyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-(3-nitrophenyl)-2-[(1-oxo-3-phenylprop-2-enyl)amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-(3-nitrophenyl)-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-cinnamamido-1-(3-nitrophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C31H27N5O5 MolecularWeight: 549.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C=CC5=CC=CC=C5

InChI

InChI=1S/C31H27N5O5/c1-2-3-9-19-41-31(38)27-28-30(33-25-16-8-7-15-24(25)32-28)35(22-13-10-14-23(20-22)36(39)40)29(27)34-26(37)18-17-21-11-5-4-6-12-21/h4-8,10-18,20H,2-3,9,19H2,1H3,(H,34,37)