[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C17H22N2O7 MolecularWeight: 366.36578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N2O7/c1-24-14-8-12(13(19(22)23)9-15(14)25-2)17(21)26-10-16(20)18-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,18,20)