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2-butyl-4-chloranyl-1-[(4-nitrophenyl)methyl]imidazole; methyl propanoate

2-butyl-4-chloranyl-1-[(4-nitrophenyl)methyl]imidazole; methyl propanoate

Systemtic Name:2-butyl-4-chloranyl-1-[(4-nitrophenyl)methyl]imidazole; methyl propanoate
Openeye Name:2-butyl-4-chloro-1-[(4-nitrophenyl)methyl]imidazole; methyl propanoate
CAS Name:2-butyl-4-chloro-1-[(4-nitrophenyl)methyl]imidazole; propanoic acid methyl ester
IUPAC Name:2-butyl-4-chloro-1-[(4-nitrophenyl)methyl]imidazole; methyl propanoate
Traditional Name:2-butyl-4-chloro-1-(4-nitrobenzyl)imidazole; propionic acid methyl ester
Formula: C18H24ClN3O4
MolecularWeight: 381.85386
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)[N+](=O)[O-])Cl.CCC(=O)OC


Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)[N+](=O)[O-])Cl.CCC(=O)OC


InChI

InChI=1S/C14H16ClN3O2.C4H8O2/c1-2-3-4-14-16-13(15)10-17(14)9-11-5-7-12(8-6-11)18(19)20;1-3-4(5)6-2/h5-8,10H,2-4,9H2,1H3;3H2,1-2H3


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