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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H14BrN3O5S MolecularWeight: 488.31126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H14BrN3O5S/c21-16-11-13(24(27)28)8-9-17(16)23-18(25)12-29-20(26)15-7-4-10-22-19(15)30-14-5-2-1-3-6-14/h1-11H,12H2,(H,23,25)