6,7-dimethyl-5-nitro-naphthalene-1,4-dione

Systemtic Name: 6,7-dimethyl-5-nitro-naphthalene-1,4-dione Openeye Name: 6,7-dimethyl-5-nitro-naphthalene-1,4-dione CAS Name: 6,7-dimethyl-5-nitronaphthalene-1,4-dione IUPAC Name: 6,7-dimethyl-5-nitronaphthalene-1,4-dione Traditional Name: 6,7-dimethyl-5-nitro-1,4-naphthoquinone Formula: C12H9NO4 MolecularWeight: 231.20416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO4/c1-6-5-8-9(14)3-4-10(15)11(8)12(7(6)2)13(16)17/h3-5H,1-2H3