3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3-chloro-4-methyl-phenyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3-chloro-4-methylphenyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(3-chloro-4-methyl-phenyl)-4-keto-phthalazine-1-carboxylic acid Formula: C16H11ClN2O3 MolecularWeight: 314.72314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

InChI

InChI=1S/C16H11ClN2O3/c1-9-6-7-10(8-13(9)17)19-15(20)12-5-3-2-4-11(12)14(18-19)16(21)22/h2-8H,1H3,(H,21,22)