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

Systemtic Name: phenyl N-cyano-N'-[2-(1,3-dioxolan-2-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]carbamimidate Openeye Name: 1-cyano-3-[2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-phenyl-isourea CAS Name: N-cyano-N'-[2-(1,3-dioxolan-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-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]carbamimidate Traditional Name: 1-cyano-3-[2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-phenyl-isourea Formula: C21H20N4O7 MolecularWeight: 440.4061

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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)C4OCCO4

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(NC#N)OC3=CC=CC=C3)O)C4OCCO4

InChI

InChI=1S/C21H20N4O7/c1-21(19-29-9-10-30-19)18(26)17(15-11-13(25(27)28)7-8-16(15)32-21)24-20(23-12-22)31-14-5-3-2-4-6-14/h2-8,11,17-19,26H,9-10H2,1H3,(H,23,24)