5-(4-bromophenyl)-1,2-dimethyl-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-1,2-dimethyl-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 5-(4-bromophenyl)-1,2-dimethyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 5-(4-bromophenyl)-1,2-dimethyl-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 5-(4-bromophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid Traditional Name: 5-(4-bromophenyl)-4-keto-1,2-dimethyl-nicotinic acid Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CN1C)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=CN1C)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H12BrNO3/c1-8-12(14(18)19)13(17)11(7-16(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,18,19)