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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-nitrophenyl)piperazino]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-13-18(21(27)30-4)14(2)22-19(13)20(26)15(3)23-9-11-24(12-10-23)16-7-5-6-8-17(16)25(28)29/h5-8,15,22H,9-12H2,1-4H3