[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C14H14N4O7 MolecularWeight: 350.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O7/c19-5-4-15-11-2-1-9(18(22)23)7-10(11)14(21)24-8-13(20)16-12-3-6-25-17-12/h1-3,6-7,15,19H,4-5,8H2,(H,16,17,20)