4-(4-bromophenyl)-1-butyl-5-methyl-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-1-butyl-5-methyl-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-1-butyl-5-methyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-1-butyl-5-methyl-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-1-butyl-5-methyl-2-oxopyridine-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-1-butyl-2-keto-5-methyl-nicotinic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO3/c1-3-4-9-19-10-11(2)14(15(16(19)20)17(21)22)12-5-7-13(18)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,21,22)