3-[(2,5-dimethylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2,5-dimethylphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(2,5-dimethylbenzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H16N2O3/c1-11-7-8-12(2)13(9-11)10-20-17(21)15-6-4-3-5-14(15)16(19-20)18(22)23/h3-9H,10H2,1-2H3,(H,22,23)