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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O5/c1-4-29-20(26)18-13(2)17(14(3)21-18)19(25)23-11-9-22(10-12-23)15-5-7-16(8-6-15)24(27)28/h5-8,21H,4,9-12H2,1-3H3