methyl 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitro-cyclohex-2-en-1-yl]propanoate

Systemtic Name: methyl 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitro-cyclohex-2-en-1-yl]propanoate Openeye Name: methyl 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitro-cyclohex-2-en-1-yl]propanoate CAS Name: 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitro-1-cyclohex-2-enyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitrocyclohex-2-en-1-yl]propanoate Traditional Name: 3-[(1R,6R)-6-(1,3-benzodioxol-5-yl)-1-nitro-cyclohex-2-en-1-yl]propionic acid methyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(C=CCCC1C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC[C@]1(C=CCC[C@@H]1C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO6/c1-22-16(19)7-9-17(18(20)21)8-3-2-4-13(17)12-5-6-14-15(10-12)24-11-23-14/h3,5-6,8,10,13H,2,4,7,9,11H2,1H3/t13-,17+/m1/s1