3-(1-chloranylphthalazin-6-yl)-4-methyl-benzoic acid

Systemtic Name: 3-(1-chloranylphthalazin-6-yl)-4-methyl-benzoic acid Openeye Name: 3-(1-chlorophthalazin-6-yl)-4-methyl-benzoic acid CAS Name: 3-(1-chloro-6-phthalazinyl)-4-methylbenzoic acid IUPAC Name: 3-(1-chlorophthalazin-6-yl)-4-methylbenzoic acid Traditional Name: 3-(1-chlorophthalazin-6-yl)-4-methyl-benzoic acid Formula: C16H11ClN2O2 MolecularWeight: 298.72374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=NC(=C3C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=NC(=C3C=C2)Cl

InChI

InChI=1S/C16H11ClN2O2/c1-9-2-3-11(16(20)21)7-14(9)10-4-5-13-12(6-10)8-18-19-15(13)17/h2-8H,1H3,(H,20,21)