1-[(3-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[(3-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[(3-bromophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(3-bromophenyl)methyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[(3-bromophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(3-bromobenzyl)-6-keto-nicotinate Formula: C13H9BrNO3- MolecularWeight: 307.11946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=C(C=CC2=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=C(C=CC2=O)C(=O)[O-]

InChI

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