cyanomethyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: cyanomethyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: cyanomethyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid cyanomethyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC#N

InChI

InChI=1S/C13H12N2O4/c14-6-8-18-13(17)5-7-15-10-3-1-2-4-11(10)19-9-12(15)16/h1-4H,5,7-9H2