(4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-5-propan-2-yl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-chloro-5-isopropyl-2-methyl-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-chloro-2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-2-methyl-5-propan-2-ylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-chloro-5-isopropyl-2-methyl-phenyl) ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)Cl)C(C)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C(=C1)Cl)C(C)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H19ClN2O3/c1-11(2)15-10-17(12(3)9-16(15)21)26-20(25)18-13-7-5-6-8-14(13)19(24)23(4)22-18/h5-11H,1-4H3