methyl (2S)-2-[1-(4-methyl-3-nitro-phenyl)ethylamino]propanoate

Systemtic Name: methyl (2S)-2-[1-(4-methyl-3-nitro-phenyl)ethylamino]propanoate Openeye Name: methyl (2S)-2-[1-(4-methyl-3-nitro-phenyl)ethylamino]propanoate CAS Name: (2S)-2-[1-(4-methyl-3-nitrophenyl)ethylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(4-methyl-3-nitrophenyl)ethylamino]propanoate Traditional Name: (2S)-2-[1-(4-methyl-3-nitro-phenyl)ethylamino]propionic acid methyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-8-5-6-11(7-12(8)15(17)18)9(2)14-10(3)13(16)19-4/h5-7,9-10,14H,1-4H3/t9?,10-/m0/s1