4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)benzoate

Systemtic Name: 4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)benzoate Openeye Name: 4-(3-methyl-4-oxo-phthalazin-1-yl)benzoate CAS Name: 4-(3-methyl-4-oxo-1-phthalazinyl)benzoate IUPAC Name: 4-(3-methyl-4-oxophthalazin-1-yl)benzoate Traditional Name: 4-(4-keto-3-methyl-phthalazin-1-yl)benzoate Formula: C16H11N2O3- MolecularWeight: 279.27014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3/c1-18-15(19)13-5-3-2-4-12(13)14(17-18)10-6-8-11(9-7-10)16(20)21/h2-9H,1H3,(H,20,21)/p-1