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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H14BrFN4O5 MolecularWeight: 489.251363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrFN4O5/c21-14-10-12(26(29)30)7-8-16(14)24-18(27)11-31-20(28)13-4-3-9-23-19(13)25-17-6-2-1-5-15(17)22/h1-10H,11H2,(H,23,25)(H,24,27)