[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O5/c1-13-7-8-17(18(9-13)25(28)29)24-20(26)19(14-5-3-2-4-6-14)30-21(27)15-10-16(22)12-23-11-15/h2-12,19H,1H3,(H,24,26)