5-bromanyl-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylate

Systemtic Name: 5-bromanyl-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylate Openeye Name: 1-benzyl-5-bromo-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylate IUPAC Name: 1-benzyl-5-bromo-6-oxopyridine-3-carboxylate Traditional Name: 1-benzyl-5-bromo-6-keto-nicotinate Formula: C13H9BrNO3- MolecularWeight: 307.11946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)[O-]

InChI

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