6,7-dimethyl-3-nitro-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 6,7-dimethyl-3-nitro-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-6,7-dimethyl-3-nitro-naphthalene-1,2-dione CAS Name: 4-hydroxy-6,7-dimethyl-3-nitronaphthalene-1,2-dione IUPAC Name: 4-hydroxy-6,7-dimethyl-3-nitronaphthalene-1,2-dione Traditional Name: 4-hydroxy-6,7-dimethyl-3-nitro-1,2-naphthoquinone Formula: C12H9NO5 MolecularWeight: 247.20356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H9NO5/c1-5-3-7-8(4-6(5)2)11(15)12(16)9(10(7)14)13(17)18/h3-4,14H,1-2H3