1-[(4-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-(4-bromobenzyl)-6-keto-nicotinic acid Formula: C13H10BrNO3 MolecularWeight: 308.1274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)O)Br

InChI

InChI=1S/C13H10BrNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18)