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2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazole-5-carboxylic acid

2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name:2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazole-5-carboxylic acid
Openeye Name:2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazole-5-carboxylic acid
CAS Name:2-(1-methyl-4-nitro-2-imidazolyl)-3H-benzimidazole-5-carboxylic acid
IUPAC Name:2-(1-methyl-4-nitroimidazol-2-yl)-3H-benzimidazole-5-carboxylic acid
Traditional Name:2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazole-5-carboxylic acid
Formula: C12H9N5O4
MolecularWeight: 287.23096
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C12H9N5O4/c1-16-5-9(17(20)21)15-11(16)10-13-7-3-2-6(12(18)19)4-8(7)14-10/h2-5H,1H3,(H,13,14)(H,18,19)


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