methyl N-[(3-cyano-2,2-dimethyl-3-oxidanyl-4H-chromen-4-yl)amino]carbamate

Systemtic Name: methyl N-[(3-cyano-2,2-dimethyl-3-oxidanyl-4H-chromen-4-yl)amino]carbamate Openeye Name: methyl N-[(3-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]carbamate CAS Name: N-[(3-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-cyano-3-hydroxy-2,2-dimethyl-4H-chromen-4-yl)amino]carbamate Traditional Name: N-[(3-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]carbamic acid methyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)NNC(=O)OC)(C#N)O)C

Isomeric SMILES

CC1(C(C(C2=CC=CC=C2O1)NNC(=O)OC)(C#N)O)C

InChI

InChI=1S/C14H17N3O4/c1-13(2)14(19,8-15)11(16-17-12(18)20-3)9-6-4-5-7-10(9)21-13/h4-7,11,16,19H,1-3H3,(H,17,18)