[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C17H20F2N2O7 MolecularWeight: 402.346706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F2N2O7/c1-26-13-7-11(12(21(24)25)8-14(13)28-17(18)19)16(23)27-9-15(22)20-10-5-3-2-4-6-10/h7-8,10,17H,2-6,9H2,1H3,(H,20,22)