ethyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]nicotinic acid ethyl ester Formula: C19H19F3N4O4 MolecularWeight: 424.37377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O4/c1-2-30-18(27)13-3-6-17(23-12-13)25-9-7-24(8-10-25)15-5-4-14(19(20,21)22)11-16(15)26(28)29/h3-6,11-12H,2,7-10H2,1H3