[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O6/c16-11(13-10-5-6-21-14-10)7-20-12(17)8-3-1-2-4-9(8)15(18)19/h1-6H,7H2,(H,13,14,16)