phenyl N-cyano-N'-[2-(1,3-dioxan-2-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[2-(1,3-dioxan-2-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]carbamimidate Openeye Name: 1-cyano-3-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-phenyl-isourea CAS Name: N-cyano-N'-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]carbamimidate Traditional Name: 1-cyano-3-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-phenyl-isourea Formula: C22H22N4O7 MolecularWeight: 454.43268

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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)C4OCCCO4

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(NC#N)OC3=CC=CC=C3)O)C4OCCCO4

InChI

InChI=1S/C22H22N4O7/c1-22(20-30-10-5-11-31-20)19(27)18(16-12-14(26(28)29)8-9-17(16)33-22)25-21(24-13-23)32-15-6-3-2-4-7-15/h2-4,6-9,12,18-20,27H,5,10-11H2,1H3,(H,24,25)