diethyl 2-[[4-[[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]methyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]methyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[[(5,7-dinitro-3-phenyl-2-quinoxalinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[[(5,7-dinitro-3-phenylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]methyl]benzoyl]amino]glutaric acid diethyl ester Formula: C31H30N6O9 MolecularWeight: 630.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H30N6O9/c1-3-45-26(38)15-14-23(31(40)46-4-2)34-30(39)21-12-10-19(11-13-21)18-32-29-27(20-8-6-5-7-9-20)35-28-24(33-29)16-22(36(41)42)17-25(28)37(43)44/h5-13,16-17,23H,3-4,14-15,18H2,1-2H3,(H,32,33)(H,34,39)