ethyl N-[N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-C-methyl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-C-methyl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-methyl-carbonimidoyl]carbamate CAS Name: N-[1-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)imino]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-methylcarbonimidoyl]carbamate Traditional Name: N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-methyl-carbonimidoyl]carbamic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C

Isomeric SMILES

CCOC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C

InChI

InChI=1S/C17H21N3O4/c1-5-23-16(22)20-10(2)19-14-12-8-11(9-18)6-7-13(12)24-17(3,4)15(14)21/h6-8,14-15,21H,5H2,1-4H3,(H,19,20,22)