methyl 3-(6-cyano-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: methyl 3-(6-cyano-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: methyl 3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(6-cyano-3-keto-1,4-benzoxazin-4-yl)propionic acid methyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)COC2=C1C=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCN1C(=O)COC2=C1C=C(C=C2)C#N

InChI

InChI=1S/C13H12N2O4/c1-18-13(17)4-5-15-10-6-9(7-14)2-3-11(10)19-8-12(15)16/h2-3,6H,4-5,8H2,1H3