3-[[2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]cyclopent-2-en-1-one

Systemtic Name: 3-[[2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]cyclopent-2-en-1-one Openeye Name: 3-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]oxycyclopent-2-en-1-one CAS Name: 3-[[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1-cyclopent-2-enone IUPAC Name: 3-[[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]oxy]cyclopent-2-en-1-one Traditional Name: 3-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]oxycyclopent-2-en-1-one Formula: C17H19NO7 MolecularWeight: 349.33526

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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)O)COC

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-17(9-23-2)16(20)15(24-12-5-4-11(19)8-12)13-7-10(18(21)22)3-6-14(13)25-17/h3,6-8,15-16,20H,4-5,9H2,1-2H3