[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C14H15N5O8S MolecularWeight: 413.3626

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O8S/c1-15-10-3-2-9(6-11(10)19(22)23)28(24,25)16-7-14(21)26-8-13(20)17-12-4-5-27-18-12/h2-6,15-16H,7-8H2,1H3,(H,17,18,20)