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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(4-nitrophenyl)piperazino]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-13-18(20(26)29-3)14(2)21-19(13)17(25)12-22-8-10-23(11-9-22)15-4-6-16(7-5-15)24(27)28/h4-7,21H,8-12H2,1-3H3