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

Systemtic Name: 3-[[2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]oxy]-1H-pyridazin-6-one Openeye Name: 3-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]oxy-1H-pyridazin-6-one CAS Name: 3-[[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]oxy]-1H-pyridazin-6-one Traditional Name: 3-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]oxy-1H-pyridazin-6-one Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=NNC(=O)C=C3)O)COC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])OC3=NNC(=O)C=C3)O)COC

InChI

InChI=1S/C16H17N3O7/c1-16(8-24-2)15(21)14(25-13-6-5-12(20)17-18-13)10-7-9(19(22)23)3-4-11(10)26-16/h3-7,14-15,21H,8H2,1-2H3,(H,17,20)