2-[2-butyl-5-chloranyl-1-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-5-chloranyl-1-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid Openeye Name: 2-[2-butyl-5-chloro-1-[(2-nitrophenyl)methyl]imidazol-4-yl]acetic acid CAS Name: 2-[2-butyl-5-chloro-1-[(2-nitrophenyl)methyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[2-butyl-5-chloro-1-[(2-nitrophenyl)methyl]imidazol-4-yl]acetic acid Traditional Name: 2-[2-butyl-5-chloro-1-(2-nitrobenzyl)imidazol-4-yl]acetic acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC=C2[N+](=O)[O-])Cl)CC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC=C2[N+](=O)[O-])Cl)CC(=O)O

InChI

InChI=1S/C16H18ClN3O4/c1-2-3-8-14-18-12(9-15(21)22)16(17)19(14)10-11-6-4-5-7-13(11)20(23)24/h4-7H,2-3,8-10H2,1H3,(H,21,22)