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

Systemtic Name: ethyl N-[N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-C-(4-nitrophenyl)carbonimidoyl]carbamate Openeye Name: ethyl N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-(4-nitrophenyl)carbonimidoyl]carbamate CAS Name: N-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)imino-(4-nitrophenyl)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-(4-nitrophenyl)carbonimidoyl]carbamate Traditional Name: N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-(4-nitrophenyl)carbonimidoyl]carbamic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-4-31-21(28)25-20(14-6-8-15(9-7-14)26(29)30)24-18-16-11-13(12-23)5-10-17(16)32-22(2,3)19(18)27/h5-11,18-19,27H,4H2,1-3H3,(H,24,25,28)