[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S/c1-23-10-3-2-8(6-9(10)16(19)20)13(18)21-7-12(17)14-11-4-5-22-15-11/h2-6H,7H2,1H3,(H,14,15,17)