cyanomethyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: cyanomethyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: cyanomethyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid cyanomethyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC#N

InChI

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