diethyl 2,5-bis(4-nitrophenyl)-1-[(3-nitropyridin-2-yl)amino]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis(4-nitrophenyl)-1-[(3-nitropyridin-2-yl)amino]pyrrole-3,4-dicarboxylate Openeye Name: diethyl 2,5-bis(4-nitrophenyl)-1-[(3-nitro-2-pyridyl)amino]pyrrole-3,4-dicarboxylate CAS Name: 2,5-bis(4-nitrophenyl)-1-[(3-nitro-2-pyridinyl)amino]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(4-nitrophenyl)-1-[(3-nitropyridin-2-yl)amino]pyrrole-3,4-dicarboxylate Traditional Name: 2,5-bis(4-nitrophenyl)-1-[(3-nitro-2-pyridyl)amino]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C27H22N6O10 MolecularWeight: 590.49778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H22N6O10/c1-3-42-26(34)21-22(27(35)43-4-2)24(17-9-13-19(14-10-17)32(38)39)30(29-25-20(33(40)41)6-5-15-28-25)23(21)16-7-11-18(12-8-16)31(36)37/h5-15H,3-4H2,1-2H3,(H,28,29)