methyl 2-acetamido-3-[(4-nitrophenyl)methylsulfonyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(4-nitrophenyl)methylsulfonyl]propanoate Openeye Name: methyl 2-acetamido-3-[(4-nitrophenyl)methylsulfonyl]propanoate CAS Name: 2-acetamido-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(4-nitrophenyl)methylsulfonyl]propanoate Traditional Name: 2-acetamido-3-(4-nitrobenzyl)sulfonyl-propionic acid methyl ester Formula: C13H16N2O7S MolecularWeight: 344.34034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7S/c1-9(16)14-12(13(17)22-2)8-23(20,21)7-10-3-5-11(6-4-10)15(18)19/h3-6,12H,7-8H2,1-2H3,(H,14,16)