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

Systemtic Name: 3-butyl-2-(3-cyanophenyl)-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 3-butyl-2-(3-cyanophenyl)-5-oxo-pyridazine-4-carboxylic acid CAS Name: 3-butyl-2-(3-cyanophenyl)-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 3-butyl-2-(3-cyanophenyl)-5-oxopyridazine-4-carboxylic acid Traditional Name: 3-butyl-2-(3-cyanophenyl)-5-keto-pyridazine-4-carboxylic acid Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3/c1-2-3-7-13-15(16(21)22)14(20)10-18-19(13)12-6-4-5-11(8-12)9-17/h4-6,8,10H,2-3,7H2,1H3,(H,21,22)