[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O8S/c1-11(16(23)20-18(25)19-2)30-17(24)14-8-3-4-9-15(14)21-31(28,29)13-7-5-6-12(10-13)22(26)27/h3-11,21H,1-2H3,(H2,19,20,23,25)