[2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-cyclohexen-1-yl] ethanoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-cyclohexen-1-yl] ethanoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-cyclohexen-1-yl] acetate CAS Name: acetic acid [2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxocyclohexen-1-yl] acetate Traditional Name: acetic acid [2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-cyclohexen-1-yl] ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=O)CCC1)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)OC1=C(C(=O)CCC1)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO7/c1-10(19)25-15-4-2-3-13(20)17(15)12(8-18(21)22)11-5-6-14-16(7-11)24-9-23-14/h5-7,12H,2-4,8-9H2,1H3