[(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [(1S)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18BrN3O6 MolecularWeight: 500.29882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C22H18BrN3O6/c1-2-31-21-16(9-6-12-24-21)22(28)32-19(14-7-4-3-5-8-14)20(27)25-18-11-10-15(26(29)30)13-17(18)23/h3-13,19H,2H2,1H3,(H,25,27)/t19-/m0/s1