methyl (2R,3R)-2-azanyl-3-(4-methylphenyl)-4-nitro-butanoate

Systemtic Name: methyl (2R,3R)-2-azanyl-3-(4-methylphenyl)-4-nitro-butanoate Openeye Name: methyl (2R,3R)-2-amino-4-nitro-3-(p-tolyl)butanoate CAS Name: (2R,3R)-2-amino-3-(4-methylphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-amino-3-(4-methylphenyl)-4-nitrobutanoate Traditional Name: (2R,3R)-2-amino-4-nitro-3-(p-tolyl)butyric acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8-3-5-9(6-4-8)10(7-14(16)17)11(13)12(15)18-2/h3-6,10-11H,7,13H2,1-2H3/t10-,11+/m0/s1