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

Systemtic Name: [(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H26N2O7/c1-11-7-5-6-8-14(11)20-18(22)12(2)28-19(23)13-9-16(26-3)17(27-4)10-15(13)21(24)25/h9-12,14H,5-8H2,1-4H3,(H,20,22)/t11-,12-,14-/m0/s1