3-nitro-4-[(E)-2-nitroethenyl]benzene-1,2-diol

Systemtic Name: 3-nitro-4-[(E)-2-nitroethenyl]benzene-1,2-diol Openeye Name: 3-nitro-4-[(E)-2-nitrovinyl]benzene-1,2-diol CAS Name: 3-nitro-4-[(E)-2-nitroethenyl]benzene-1,2-diol IUPAC Name: 3-nitro-4-[(E)-2-nitroethenyl]benzene-1,2-diol Traditional Name: 3-nitro-4-[(E)-2-nitrovinyl]pyrocatechol Formula: C8H6N2O6 MolecularWeight: 226.14304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6/c11-6-2-1-5(3-4-9(13)14)7(8(6)12)10(15)16/h1-4,11-12H/b4-3+