[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H14ClF3N4O5 MolecularWeight: 494.80787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H14ClF3N4O5/c22-16-7-6-14(10-17(16)29(32)33)27-18(30)11-34-20(31)15-5-2-8-26-19(15)28-13-4-1-3-12(9-13)21(23,24)25/h1-10H,11H2,(H,26,28)(H,27,30)