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

Systemtic Name: dimethyl 2-(4-nitrophenyl)-5-(phenylmethyl)-1H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-benzyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-(4-nitrophenyl)-5-(phenylmethyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-benzyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=C1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O6/c1-28-20(24)17-16(12-13-6-4-3-5-7-13)22-19(18(17)21(25)29-2)14-8-10-15(11-9-14)23(26)27/h3-11,22H,12H2,1-2H3