3-cyanopropyl 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: 3-cyanopropyl 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: 3-cyanopropyl 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid 3-cyanopropyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCCCC#N

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCCCC#N

InChI

InChI=1S/C16H17N3O3/c1-19-14(8-9-15(20)22-11-5-4-10-17)18-13-7-3-2-6-12(13)16(19)21/h2-3,6-7H,4-5,8-9,11H2,1H3