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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12-8-9-15(10-16(12)20(23)24)18(22)25-13(2)17(21)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m1/s1