6-butyl-1-(3-cyanophenyl)-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 6-butyl-1-(3-cyanophenyl)-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid Openeye Name: 6-butyl-1-(3-cyanophenyl)-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 6-butyl-1-(3-cyanophenyl)-4-oxopyridazine-3,5-dicarboxylic acid IUPAC Name: 6-butyl-1-(3-cyanophenyl)-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 6-butyl-1-(3-cyanophenyl)-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5/c1-2-3-7-12-13(16(22)23)15(21)14(17(24)25)19-20(12)11-6-4-5-10(8-11)9-18/h4-6,8H,2-3,7H2,1H3,(H,22,23)(H,24,25)