[(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1S)-2-[cyclohexyl(ethyl)amino]-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1S)-2-[cyclohexyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H28N2O7/c1-5-21(14-9-7-6-8-10-14)19(23)13(2)29-20(24)15-11-17(27-3)18(28-4)12-16(15)22(25)26/h11-14H,5-10H2,1-4H3/t13-/m0/s1