2,6-dimethyl-7-nitro-1-pentan-3-yl-benzimidazole-5-carboxylic acid

Systemtic Name: 2,6-dimethyl-7-nitro-1-pentan-3-yl-benzimidazole-5-carboxylic acid Openeye Name: 1-(1-ethylpropyl)-2,6-dimethyl-7-nitro-benzimidazole-5-carboxylic acid CAS Name: 2,6-dimethyl-7-nitro-1-pentan-3-yl-5-benzimidazolecarboxylic acid IUPAC Name: 2,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole-5-carboxylic acid Traditional Name: 1-(1-ethylpropyl)-2,6-dimethyl-7-nitro-benzimidazole-5-carboxylic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NC2=C1C(=C(C(=C2)C(=O)O)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(CC)N1C(=NC2=C1C(=C(C(=C2)C(=O)O)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H19N3O4/c1-5-10(6-2)17-9(4)16-12-7-11(15(19)20)8(3)13(14(12)17)18(21)22/h7,10H,5-6H2,1-4H3,(H,19,20)