4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoic acid Openeye Name: 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoic acid CAS Name: 4-[(2-butyl-1-benzimidazolyl)methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitrobenzoic acid Traditional Name: 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-2-3-8-18-20-15-6-4-5-7-16(15)21(18)12-14-10-9-13(19(23)24)11-17(14)22(25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)