2-(2-bromophenyl)-3-butyl-5-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-(2-bromophenyl)-3-butyl-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-(2-bromophenyl)-3-butyl-5-oxo-pyridazine-4-carboxylic acid CAS Name: 2-(2-bromophenyl)-3-butyl-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-(2-bromophenyl)-3-butyl-5-oxopyridazine-4-carboxylic acid Traditional Name: 2-(2-bromophenyl)-3-butyl-5-keto-pyridazine-4-carboxylic acid Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C=NN1C2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C=NN1C2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C15H15BrN2O3/c1-2-3-7-12-14(15(20)21)13(19)9-17-18(12)11-8-5-4-6-10(11)16/h4-6,8-9H,2-3,7H2,1H3,(H,20,21)