3-cyanopropyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 3-cyanopropyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 3-cyanopropyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 3-cyanopropyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCC#N

InChI

InChI=1S/C13H11N3O3/c14-7-3-4-8-19-13(18)11-9-5-1-2-6-10(9)12(17)16-15-11/h1-2,5-6H,3-4,8H2,(H,16,17)