2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pentan-3-one

Systemtic Name: 2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pentan-3-one Openeye Name: 2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pentan-3-one CAS Name: 2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)-3-pentanone IUPAC Name: 2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pentan-3-one Traditional Name: 2,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pentan-3-one Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C)(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)C(C)(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-8(2)12(18)14(3,4)13-15-10-6-5-9(17(19)20)7-11(10)16-13/h5-8H,1-4H3,(H,15,16)