3-butyl-6-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-butyl-6-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-butyl-6-nitro-1,2-benzoquinone CAS Name: 3-butyl-6-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-butyl-6-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 3-butyl-6-nitro-o-benzoquinone Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-2-3-4-7-5-6-8(11(14)15)10(13)9(7)12/h5-6H,2-4H2,1H3