[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O5/c1-15(20(25)22-14-16-8-3-2-4-9-16)28-19(24)12-7-13-21-17-10-5-6-11-18(17)23(26)27/h5-6,10-11,15-16,21H,2-4,7-9,12-14H2,1H3,(H,22,25)/t15-/m1/s1