3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-nitro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-nitro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C=C(C=C2)C(=O)O

InChI

InChI=1S/C16H12ClN3O4/c1-9-18-14-5-3-10(16(21)22)6-15(14)19(9)8-11-2-4-12(20(23)24)7-13(11)17/h2-7H,8H2,1H3,(H,21,22)