N-[8-bromanyl-4,4-dimethyl-6-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide

Systemtic Name: N-[8-bromanyl-4,4-dimethyl-6-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide Openeye Name: N-(8-bromo-4,4-dimethyl-6-nitro-1,3-dioxo-7-isoquinolyl)acetamide CAS Name: N-(8-bromo-4,4-dimethyl-6-nitro-1,3-dioxo-7-isoquinolinyl)acetamide IUPAC Name: N-(8-bromo-4,4-dimethyl-6-nitro-1,3-dioxoisoquinolin-7-yl)acetamide Traditional Name: N-(8-bromo-1,3-diketo-4,4-dimethyl-6-nitro-7-isoquinolyl)acetamide Formula: C13H12BrN3O5 MolecularWeight: 370.15548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1Br)C(=O)NC(=O)C2(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1Br)C(=O)NC(=O)C2(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O5/c1-5(18)15-10-7(17(21)22)4-6-8(9(10)14)11(19)16-12(20)13(6,2)3/h4H,1-3H3,(H,15,18)(H,16,19,20)