3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-4-oxidanylidene-pyran-2-olate

Systemtic Name: 3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(1R)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4-keto-6-methyl-pyran-2-olate Formula: C15H12NO7- MolecularWeight: 318.25828

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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@H](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/p-1/t10-/m1/s1