2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl thiophene-2-carboxylate

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl thiophene-2-carboxylate Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-3-4-14(15(12-13)24(26)27)23-7-5-22(6-8-23)9-10-28-17(25)16-2-1-11-29-16/h1-4,11-12H,5-10H2