3-[[2-(methoxymethyl)-2,3-dimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one

Systemtic Name: 3-[[2-(methoxymethyl)-2,3-dimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one Openeye Name: 3-[3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-6-nitro-chroman-4-yl]oxycyclopent-2-en-1-one CAS Name: 3-[[3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1-cyclopent-2-enone IUPAC Name: 3-[[3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-6-nitro-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one Traditional Name: 3-[3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-6-nitro-chroman-4-yl]oxycyclopent-2-en-1-one Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=CC(=O)CC3)(C)O)COC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=CC(=O)CC3)(C)O)COC

InChI

InChI=1S/C18H21NO7/c1-17(10-24-3)18(2,21)16(25-13-6-5-12(20)9-13)14-8-11(19(22)23)4-7-15(14)26-17/h4,7-9,16,21H,5-6,10H2,1-3H3