[(1S,5E)-5-hydroxyimino-3-(oxidanylamino)-4-oxidanylidene-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,5E)-5-hydroxyimino-3-(oxidanylamino)-4-oxidanylidene-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5E)-3-(hydroxyamino)-5-hydroxyimino-4-oxo-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5E)-3-(hydroxyamino)-5-hydroxyimino-4-oxo-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5E)-3-(hydroxyamino)-5-hydroxyimino-4-oxocyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5E)-5-hydroximino-3-(hydroxyamino)-4-keto-cyclohex-2-en-1-yl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C(=O)C1=NO)NO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C\1[C@@H](C=C(C(=O)/C1=N/O)NO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O5/c16-12-10(14-18)6-9(7-11(12)15-19)20-13(17)8-4-2-1-3-5-8/h1-6,9,14,18-19H,7H2/b15-11+/t9-/m1/s1