(2-nitrophenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-nitrobenzyl) ester Formula: C13H9BrN2O4 MolecularWeight: 337.12556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN2O4/c14-11-5-10(6-15-7-11)13(17)20-8-9-3-1-2-4-12(9)16(18)19/h1-7H,8H2