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

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC(C)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)N[C@H](C)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-14-13-18(11-12-19(14)23(26)27)21(25)28-16(3)20(24)22-15(2)9-10-17-7-5-4-6-8-17/h4-8,11-13,15-16H,9-10H2,1-3H3,(H,22,24)/t15-,16-/m1/s1