[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8S/c1-12(18(25)22-14-4-8-16(9-5-14)32(20,29)30)31-17(24)10-11-21-19(26)13-2-6-15(7-3-13)23(27)28/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)(H2,20,29,30)