4-azanyl-5-cyano-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 4-azanyl-5-cyano-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 4-amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 4-amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 4-amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 4-amino-5-cyano-6-keto-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Formula: C13H7F3N4O3 MolecularWeight: 324.21489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)C#N)C(F)(F)F

InChI

InChI=1S/C13H7F3N4O3/c14-13(15,16)6-2-1-3-7(4-6)20-11(21)8(5-17)9(18)10(19-20)12(22)23/h1-4H,18H2,(H,22,23)