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

Systemtic Name: 2-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanenitrile Openeye Name: 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetonitrile CAS Name: 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]acetonitrile IUPAC Name: 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetonitrile Traditional Name: 2-[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]acetonitrile Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2/c1-2-3-4-15-19-16(17)14(9-10-18)20(15)11-12-5-7-13(8-6-12)21(22)23/h5-8H,2-4,9,11H2,1H3