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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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