4-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid

Systemtic Name: 4-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid Openeye Name: 4-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]benzoic acid CAS Name: 4-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]benzoic acid IUPAC Name: 4-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]benzoic acid Traditional Name: 4-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3/c1-14-7-8-15(2)20(13-14)21-18-5-3-4-6-19(18)22(26)25(24-21)17-11-9-16(10-12-17)23(27)28/h3-13H,1-2H3,(H,27,28)