cyanomethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: cyanomethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: cyanomethyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

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