ethyl 3-(6-cyano-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: ethyl 3-(6-cyano-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: ethyl 3-(6-cyano-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(6-cyano-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-cyano-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(6-cyano-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2)C#N)OC(C1=O)(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2)C#N)OC(C1=O)(C)C

InChI

InChI=1S/C16H18N2O4/c1-4-21-14(19)7-8-18-12-9-11(10-17)5-6-13(12)22-16(2,3)15(18)20/h5-6,9H,4,7-8H2,1-3H3