6-cyano-5-methyl-3-(4-methylphenyl)-7-oxidanyl-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 6-cyano-5-methyl-3-(4-methylphenyl)-7-oxidanyl-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 6-cyano-7-hydroxy-5-methyl-4-oxo-3-(p-tolyl)phthalazine-1-carboxylic acid CAS Name: 6-cyano-7-hydroxy-5-methyl-3-(4-methylphenyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 6-cyano-7-hydroxy-5-methyl-3-(4-methylphenyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 6-cyano-7-hydroxy-4-keto-5-methyl-3-(p-tolyl)phthalazine-1-carboxylic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C(=C(C=C3C(=N2)C(=O)O)O)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C(=C(C=C3C(=N2)C(=O)O)O)C#N)C

InChI

InChI=1S/C18H13N3O4/c1-9-3-5-11(6-4-9)21-17(23)15-10(2)13(8-19)14(22)7-12(15)16(20-21)18(24)25/h3-7,22H,1-2H3,(H,24,25)