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

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1-octan-3-yl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-octan-3-yl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-octan-3-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C28H30N6O7 MolecularWeight: 562.5738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CC)N1C(=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/C28H30N6O7/c1-4-7-8-11-18(5-2)32-25(31-27(35)17-14-19(33(37)38)16-20(15-17)34(39)40)23(28(36)41-6-3)24-26(32)30-22-13-10-9-12-21(22)29-24/h9-10,12-16,18H,4-8,11H2,1-3H3,(H,31,35)