6-butyl-4-oxidanylidene-1-phenyl-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 6-butyl-4-oxidanylidene-1-phenyl-pyridazine-3,5-dicarboxylic acid Openeye Name: 6-butyl-4-oxo-1-phenyl-pyridazine-3,5-dicarboxylic acid CAS Name: 6-butyl-4-oxo-1-phenylpyridazine-3,5-dicarboxylic acid IUPAC Name: 6-butyl-4-oxo-1-phenylpyridazine-3,5-dicarboxylic acid Traditional Name: 6-butyl-4-keto-1-phenyl-pyridazine-3,5-dicarboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=NN1C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C(=NN1C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O5/c1-2-3-9-11-12(15(20)21)14(19)13(16(22)23)17-18(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,20,21)(H,22,23)