cyanomethyl 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: cyanomethyl 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: cyanomethyl 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid cyanomethyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c15-8-9-20-13(18)7-3-6-12-16-11-5-2-1-4-10(11)14(19)17-12/h1-2,4-5H,3,6-7,9H2,(H,16,17,19)