Catalog Number:
AG000IGQ
Chemical Name:
1H-Imidazole-5-acetic acid, 2-butyl-4-chloro-1-[(2-nitrophenyl)methyl]-, sodium salt (1:1)
CAS Number:
119256-78-9
Molecular Formula:
C16H17ClN3NaO4
Molecular Weight:
373.7666
IUPAC Name:
sodium;2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetate
InChI:
InChI=1S/C16H18ClN3O4.Na/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24;/h4-7H,2-3,8-10H2,1H3,(H,21,22);/q;+1/p-1
InChI Key:
IOLLRZYQFFZPKF-UHFFFAOYSA-M
SMILES:
CCCCc1nc(c(n1Cc1ccccc1[N+](=O)[O-])CC(=O)[O-])Cl.[Na+]