3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid

Systemtic Name: 3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid Openeye Name: 3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]benzoic acid CAS Name: 3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]benzoic acid IUPAC Name: 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]benzoic acid Traditional Name: 3-[1-keto-4-(p-tolyl)phthalazin-2-yl]benzoic acid Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H16N2O3/c1-14-9-11-15(12-10-14)20-18-7-2-3-8-19(18)21(25)24(23-20)17-6-4-5-16(13-17)22(26)27/h2-13H,1H3,(H,26,27)