methyl 2-[methylsulfonyl-[[(4-nitrophenyl)carbonylamino]methyl]amino]ethanoate

Systemtic Name: methyl 2-[methylsulfonyl-[[(4-nitrophenyl)carbonylamino]methyl]amino]ethanoate Openeye Name: methyl 2-[methylsulfonyl-[[(4-nitrobenzoyl)amino]methyl]amino]acetate CAS Name: 2-[methylsulfonyl-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methylsulfonyl-[[(4-nitrobenzoyl)amino]methyl]amino]acetate Traditional Name: 2-[mesyl-[[(4-nitrobenzoyl)amino]methyl]amino]acetic acid methyl ester Formula: C12H15N3O7S MolecularWeight: 345.3284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)CN(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H15N3O7S/c1-22-11(16)7-14(23(2,20)21)8-13-12(17)9-3-5-10(6-4-9)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,17)