1-cyanoethyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C#N

InChI

InChI=1S/C14H13N3O3/c1-3-17-13(18)11-7-5-4-6-10(11)12(16-17)14(19)20-9(2)8-15/h4-7,9H,3H2,1-2H3