4-(2-nitro-1-oxidanyl-ethyl)benzene-1,2-diol

Systemtic Name: 4-(2-nitro-1-oxidanyl-ethyl)benzene-1,2-diol Openeye Name: 4-(1-hydroxy-2-nitro-ethyl)benzene-1,2-diol CAS Name: 4-(1-hydroxy-2-nitroethyl)benzene-1,2-diol IUPAC Name: 4-(1-hydroxy-2-nitroethyl)benzene-1,2-diol Traditional Name: 4-(1-hydroxy-2-nitro-ethyl)pyrocatechol Formula: C8H9NO5 MolecularWeight: 199.16076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C[N+](=O)[O-])O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(C[N+](=O)[O-])O)O)O

InChI

InChI=1S/C8H9NO5/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8,10-12H,4H2