[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C14H10BrN3O5 MolecularWeight: 380.1503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H10BrN3O5/c15-10-4-9(6-16-7-10)14(20)23-8-13(19)17-11-2-1-3-12(5-11)18(21)22/h1-7H,8H2,(H,17,19)