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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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