methyl 3-(2-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-(2-cyanoethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-(2-cyanoethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-cyanoethyl)-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-cyanoethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-cyanoethyl)-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC#N

Isomeric SMILES

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C13H11N3O3/c1-19-13(18)11-9-5-2-3-6-10(9)12(17)16(15-11)8-4-7-14/h2-3,5-6H,4,8H2,1H3