5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-(4-pivaloylpiperazino)benzimidazol-2-one Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-18(2,3)16(24)22-8-6-21(7-9-22)14-10-12-13(11-15(14)23(26)27)20(5)17(25)19(12)4/h10-11H,6-9H2,1-5H3