methyl 2,4-dimethyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-12-16(19(25)28-3)13(2)20-17(12)18(24)22-10-8-21(9-11-22)14-4-6-15(7-5-14)23(26)27/h4-7,20H,8-11H2,1-3H3