dimethyl 2-(3-nitrophenyl)carbonyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(3-nitrophenyl)carbonyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(3-nitrobenzoyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-[(3-nitrophenyl)-oxomethyl]-5-phenyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-nitrobenzoyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-(3-nitrobenzoyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C1C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=C1C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O7/c1-29-20(25)15-16(21(26)30-2)18(22-17(15)12-7-4-3-5-8-12)19(24)13-9-6-10-14(11-13)23(27)28/h3-11,22H,1-2H3