1-(4-bromophenyl)-6-oxidanylidene-2-propyl-pyridine-3-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-6-oxidanylidene-2-propyl-pyridine-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-6-oxo-2-propyl-pyridine-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-6-oxo-2-propyl-3-pyridinecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-6-oxo-2-propylpyridine-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-6-keto-2-propyl-nicotinic acid Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=O)N1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=O)N1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H14BrNO3/c1-2-3-13-12(15(19)20)8-9-14(18)17(13)11-6-4-10(16)5-7-11/h4-9H,2-3H2,1H3,(H,19,20)