methyl 4-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-11-6-4-5-7-14(11)19-17(21)12(2)26-16-9-8-13(18(22)25-3)10-15(16)20(23)24/h8-12,14H,4-7H2,1-3H3,(H,19,21)/t11-,12+,14-/m0/s1