methyl 4-[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-12(17(21)19-11-13-6-4-3-5-7-13)26-16-9-8-14(18(22)25-2)10-15(16)20(23)24/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)/t12-/m1/s1