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

Systemtic Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-nitro-4-oxidanylidene-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-nitro-4-oxo-cyclohexyl]acetate CAS Name: 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-nitro-4-oxocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-2-nitro-4-oxocyclohexyl]acetate Traditional Name: 2-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-4-keto-2-nitro-cyclohexyl]acetic acid methyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-22-15(19)7-11-2-4-12(18)8-16(11,17(20)21)10-3-5-13-14(6-10)24-9-23-13/h3,5-6,11H,2,4,7-9H2,1H3/t11-,16+/m0/s1