4-(3-bromophenyl)-1-butyl-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4-(3-bromophenyl)-1-butyl-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 4-(3-bromophenyl)-1-butyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 4-(3-bromophenyl)-1-butyl-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 4-(3-bromophenyl)-1-butyl-2-oxopyridine-3-carboxylic acid Traditional Name: 4-(3-bromophenyl)-1-butyl-2-keto-nicotinic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H16BrNO3/c1-2-3-8-18-9-7-13(14(15(18)19)16(20)21)11-5-4-6-12(17)10-11/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)