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

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O5/c1-11(16(21)19-10-12-5-3-2-4-6-12)25-17(22)13-7-8-14(18)15(9-13)20(23)24/h7-9,11-12H,2-6,10H2,1H3,(H,19,21)/t11-/m1/s1