4,4-dimethyl-7-nitro-1H-naphthalene-2,3-dione

Systemtic Name: 4,4-dimethyl-7-nitro-1H-naphthalene-2,3-dione Openeye Name: 1,1-dimethyl-6-nitro-tetralin-2,3-dione CAS Name: 4,4-dimethyl-7-nitro-1H-naphthalene-2,3-dione IUPAC Name: 4,4-dimethyl-7-nitro-1H-naphthalene-2,3-dione Traditional Name: 1,1-dimethyl-6-nitro-tetralin-2,3-quinone Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-12(2)9-4-3-8(13(16)17)5-7(9)6-10(14)11(12)15/h3-5H,6H2,1-2H3