[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H17FN4O6 MolecularWeight: 440.381283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C21H17FN4O6/c1-31-18-11-13(26(29)30)8-9-17(18)24-19(27)12-32-21(28)14-5-4-10-23-20(14)25-16-7-3-2-6-15(16)22/h2-11H,12H2,1H3,(H,23,25)(H,24,27)