2-methyl-3-[(2-nitrophenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-methyl-3-[(2-nitrophenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-methyl-3-[(2-nitrophenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 2-methyl-3-[(2-nitrophenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-methyl-3-[(2-nitrophenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-methyl-3-(2-nitrobenzyl)benzimidazole-5-carboxylic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-10-17-13-7-6-11(16(20)21)8-15(13)18(10)9-12-4-2-3-5-14(12)19(22)23/h2-8H,9H2,1H3,(H,20,21)