phenyl N-cyano-N'-[2-(dimethoxymethyl)-2-methyl-8-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[2-(dimethoxymethyl)-2-methyl-8-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]carbamimidate Openeye Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-chroman-4-yl]-2-phenyl-isourea CAS Name: N-cyano-N'-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-3,4-dihydrochromen-4-yl]carbamimidate Traditional Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-chroman-4-yl]-2-phenyl-isourea Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC=C2)[N+](=O)[O-])N=C(NC#N)OC3=CC=CC=C3)O)C(OC)OC

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)[N+](=O)[O-])N=C(NC#N)OC3=CC=CC=C3)O)C(OC)OC

InChI

InChI=1S/C21H22N4O7/c1-21(19(29-2)30-3)18(26)16(14-10-7-11-15(25(27)28)17(14)32-21)24-20(23-12-22)31-13-8-5-4-6-9-13/h4-11,16,18-19,26H,1-3H3,(H,23,24)