3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H17NO7/c1-9-6-12(18)15(16(19)24-9)11(8-17(20)21)10-4-5-13(22-2)14(7-10)23-3/h4-7,11,19H,8H2,1-3H3