cyanomethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: cyanomethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: cyanomethyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

InChI=1S/C14H13N3O3/c1-9(2)17-13(18)11-6-4-3-5-10(11)12(16-17)14(19)20-8-7-15/h3-6,9H,8H2,1-2H3