ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-pentyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-amyl-2-[(3,5-dinitrobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C25H24N6O7 MolecularWeight: 520.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O7/c1-3-5-8-11-29-22(28-24(32)15-12-16(30(34)35)14-17(13-15)31(36)37)20(25(33)38-4-2)21-23(29)27-19-10-7-6-9-18(19)26-21/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,28,32)