2-azanyl-8-bromanyl-7-ethanoyl-4,4-dimethyl-6-nitro-isoquinoline-1,3-dione

Systemtic Name: 2-azanyl-8-bromanyl-7-ethanoyl-4,4-dimethyl-6-nitro-isoquinoline-1,3-dione Openeye Name: 7-acetyl-2-amino-8-bromo-4,4-dimethyl-6-nitro-isoquinoline-1,3-dione CAS Name: 7-acetyl-2-amino-8-bromo-4,4-dimethyl-6-nitroisoquinoline-1,3-dione IUPAC Name: 7-acetyl-2-amino-8-bromo-4,4-dimethyl-6-nitroisoquinoline-1,3-dione Traditional Name: 7-acetyl-2-amino-8-bromo-4,4-dimethyl-6-nitro-isoquinoline-1,3-quinone Formula: C13H12BrN3O5 MolecularWeight: 370.15548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(=C1Br)C(=O)N(C(=O)C2(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=C2C(=C1Br)C(=O)N(C(=O)C2(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O5/c1-5(18)8-7(17(21)22)4-6-9(10(8)14)11(19)16(15)12(20)13(6,2)3/h4H,15H2,1-3H3