3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C15H13NO7 MolecularWeight: 319.26622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13NO7/c1-8-4-11(17)14(15(18)23-8)10(6-16(19)20)9-2-3-12-13(5-9)22-7-21-12/h2-5,10,18H,6-7H2,1H3