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

Systemtic Name: pentyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[[3-(3-nitrophenyl)acryloyl]amino]-1-phenyl-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)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

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(22-12-5-4-6-13-22)29(27)34-26(37)18-17-21-11-10-14-23(20-21)36(39)40/h4-8,10-18,20H,2-3,9,19H2,1H3,(H,34,37)