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

Systemtic Name: 3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid Openeye Name: 3-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]benzoic acid CAS Name: 3-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]benzoic acid IUPAC Name: 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid Traditional Name: 3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]benzoic acid Formula: C21H13ClN2O3 MolecularWeight: 376.79252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN2O3/c22-15-10-8-13(9-11-15)19-17-6-1-2-7-18(17)20(25)24(23-19)16-5-3-4-14(12-16)21(26)27/h1-12H,(H,26,27)