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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C15H11BrN2O5 MolecularWeight: 379.16224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O5/c1-9-2-3-10(5-13(9)18(21)22)14(19)8-23-15(20)11-4-12(16)7-17-6-11/h2-7H,8H2,1H3