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

Systemtic Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-12-4-7-15(8-5-12)11-20-18(22)14(3)26-19(23)16-9-6-13(2)17(10-16)21(24)25/h4-10,14H,11H2,1-3H3,(H,20,22)/t14-/m1/s1