3-butyl-4-nitro-benzene-1,2-diolate

Systemtic Name: 3-butyl-4-nitro-benzene-1,2-diolate Openeye Name: 3-butyl-4-nitro-benzene-1,2-diolate CAS Name: 3-butyl-4-nitrobenzene-1,2-diolate IUPAC Name: 3-butyl-4-nitrobenzene-1,2-diolate Traditional Name: 3-butyl-4-nitro-benzene-1,2-diolate Formula: C10H11NO4-2 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13NO4/c1-2-3-4-7-8(11(14)15)5-6-9(12)10(7)13/h5-6,12-13H,2-4H2,1H3/p-2