3-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoate

Systemtic Name: 3-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoate Openeye Name: 3-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]benzoate CAS Name: 3-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]benzoate IUPAC Name: 3-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]benzoate Traditional Name: 3-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]benzoate Formula: C23H17N2O3- MolecularWeight: 369.39268

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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=CC(=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

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