[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(5-chloro-2-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=C(C=CC(=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=C(C=CC(=C3)Cl)[N+](=O)[O-])C(F)(F)F

InChI

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