ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(cyclohexylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]isonipecotic acid ethyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

InChI

InChI=1S/C23H31N3O7/c1-2-31-23(28)15-8-10-25(11-9-15)21(22(27)24-16-6-4-3-5-7-16)17-12-19-20(33-14-32-19)13-18(17)26(29)30/h12-13,15-16,21H,2-11,14H2,1H3,(H,24,27)