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sodium 2-[2-butyl-5-chloranyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoate

sodium 2-[2-butyl-5-chloranyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoate

Systemtic Name:sodium 2-[2-butyl-5-chloranyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoate
Openeye Name:sodium 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetate
CAS Name:sodium 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]-4-imidazolyl]acetate
IUPAC Name:sodium 2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetate
Traditional Name:sodium 2-[2-butyl-5-chloro-3-(2-nitrobenzyl)imidazol-4-yl]acetate
Formula: C16H17ClN3NaO4
MolecularWeight: 373.76665
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


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


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