[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H18N4O8S MolecularWeight: 462.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O8S/c1-2-10-20-19(26)21-17(24)12-31-18(25)15-8-3-4-9-16(15)22-32(29,30)14-7-5-6-13(11-14)23(27)28/h2-9,11,22H,1,10,12H2,(H2,20,21,24,26)