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

Systemtic Name: N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide Openeye Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)acetamide CAS Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)acetamide IUPAC Name: N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)acetamide Traditional Name: N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)acetamide Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1)C(C(=O)NC2=O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1)C(C(=O)NC2=O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-6(17)14-8-5-4-7-9(10(8)16(20)21)11(18)15-12(19)13(7,2)3/h4-5H,1-3H3,(H,14,17)(H,15,18,19)