methyl 2-[2-(1,3-benzodioxol-5-yl)-2-(oxidanylamino)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-2-(oxidanylamino)cyclohexyl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-2-(hydroxyamino)cyclohexyl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-2-(hydroxyamino)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-yl)-2-(hydroxyamino)cyclohexyl]acetate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-(hydroxyamino)cyclohexyl]acetic acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCC1(C2=CC3=C(C=C2)OCO3)NO

Isomeric SMILES

COC(=O)CC1CCCCC1(C2=CC3=C(C=C2)OCO3)NO

InChI

InChI=1S/C16H21NO5/c1-20-15(18)9-11-4-2-3-7-16(11,17-19)12-5-6-13-14(8-12)22-10-21-13/h5-6,8,11,17,19H,2-4,7,9-10H2,1H3