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

Systemtic Name: ethyl 2,4-dimethyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23F3N4O5 MolecularWeight: 468.42633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H23F3N4O5/c1-4-33-20(30)17-12(2)18(25-13(17)3)19(29)27-9-7-26(8-10-27)15-6-5-14(21(22,23)24)11-16(15)28(31)32/h5-6,11,25H,4,7-10H2,1-3H3