4-(2-methylbenzimidazol-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(2-methylbenzimidazol-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(2-methylbenzimidazol-1-yl)-3-nitro-benzoic acid CAS Name: 4-(2-methyl-1-benzimidazolyl)-3-nitrobenzoic acid IUPAC Name: 4-(2-methylbenzimidazol-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(2-methylbenzimidazol-1-yl)-3-nitro-benzoic acid Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4/c1-9-16-11-4-2-3-5-12(11)17(9)13-7-6-10(15(19)20)8-14(13)18(21)22/h2-8H,1H3,(H,19,20)