4-methyl-3-(1-oxidanylidene-2H-phthalazin-6-yl)benzoic acid

Systemtic Name: 4-methyl-3-(1-oxidanylidene-2H-phthalazin-6-yl)benzoic acid Openeye Name: 4-methyl-3-(1-oxo-2H-phthalazin-6-yl)benzoic acid CAS Name: 4-methyl-3-(1-oxo-2H-phthalazin-6-yl)benzoic acid IUPAC Name: 4-methyl-3-(1-oxo-2H-phthalazin-6-yl)benzoic acid Traditional Name: 3-(1-keto-2H-phthalazin-6-yl)-4-methyl-benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)NN=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)NN=C3

InChI

InChI=1S/C16H12N2O3/c1-9-2-3-11(16(20)21)7-14(9)10-4-5-13-12(6-10)8-17-18-15(13)19/h2-8H,1H3,(H,18,19)(H,20,21)