methyl 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]ethanoate

Systemtic Name: methyl 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]ethanoate Openeye Name: methyl 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]acetate CAS Name: 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]acetate Traditional Name: 2-[(8S,9S)-9-(1,3-benzodioxol-5-yl)-9-nitro-1,4-dioxaspiro[4.5]decan-8-yl]acetic acid methyl ester Formula: C18H21NO8 MolecularWeight: 379.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC2(CC1(C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OCCO2

Isomeric SMILES

COC(=O)C[C@@H]1CCC2(C[C@]1(C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OCCO2

InChI

InChI=1S/C18H21NO8/c1-23-16(20)9-13-4-5-17(26-6-7-27-17)10-18(13,19(21)22)12-2-3-14-15(8-12)25-11-24-14/h2-3,8,13H,4-7,9-11H2,1H3/t13-,18+/m0/s1