ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazine-6-carboxylate

Systemtic Name: ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazine-6-carboxylate Openeye Name: ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate CAS Name: 4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate Traditional Name: 4-(cyanomethyl)-3-keto-2,2-dimethyl-1,4-benzoxazine-6-carboxylic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)(C)C

InChI

InChI=1S/C15H16N2O4/c1-4-20-13(18)10-5-6-12-11(9-10)17(8-7-16)14(19)15(2,3)21-12/h5-6,9H,4,8H2,1-3H3