4,4-dimethyl-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-7-nitro-isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-7-nitro-isoquinoline-1,3-dione CAS Name: 4,4-dimethyl-7-nitroisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-7-nitroisoquinoline-1,3-dione Traditional Name: 4,4-dimethyl-7-nitro-isoquinoline-1,3-quinone Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)C

InChI

InChI=1S/C11H10N2O4/c1-11(2)8-4-3-6(13(16)17)5-7(8)9(14)12-10(11)15/h3-5H,1-2H3,(H,12,14,15)