7-azanyl-4,4-dimethyl-8-nitro-isoquinoline-1,3-dione

Systemtic Name: 7-azanyl-4,4-dimethyl-8-nitro-isoquinoline-1,3-dione Openeye Name: 7-amino-4,4-dimethyl-8-nitro-isoquinoline-1,3-dione CAS Name: 7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3-dione IUPAC Name: 7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3-dione Traditional Name: 7-amino-4,4-dimethyl-8-nitro-isoquinoline-1,3-quinone Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c1-11(2)5-3-4-6(12)8(14(17)18)7(5)9(15)13-10(11)16/h3-4H,12H2,1-2H3,(H,13,15,16)