methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylidene-2-nitro-cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylidene-2-nitro-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylene-2-nitro-cyclohexyl]acetate CAS Name: 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylene-2-nitrocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylidene-2-nitrocyclohexyl]acetate Traditional Name: 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-methylene-2-nitro-cyclohexyl]acetic acid methyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(=C)CC1(C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-11-3-4-13(8-16(19)22-2)17(9-11,18(20)21)12-5-6-14-15(7-12)24-10-23-14/h5-7,13H,1,3-4,8-10H2,2H3/t13-,17+/m0/s1