methyl 2-[(2-methyl-3-nitro-phenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(2-methyl-3-nitro-phenyl)-methylsulfonyl-amino]ethanoate Openeye Name: methyl 2-(2-methyl-N-methylsulfonyl-3-nitro-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonyl-3-nitroanilino)acetic acid methyl ester IUPAC Name: methyl 2-(2-methyl-N-methylsulfonyl-3-nitroanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-3-nitro-anilino)acetic acid methyl ester Formula: C11H14N2O6S MolecularWeight: 302.30366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S/c1-8-9(5-4-6-10(8)13(15)16)12(20(3,17)18)7-11(14)19-2/h4-6H,7H2,1-3H3