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

Systemtic Name: [5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl] 2-methylhexanoate Openeye Name: [5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl] 2-methylhexanoate CAS Name: 2-methylhexanoic acid [5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl] ester IUPAC Name: [5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl] 2-methylhexanoate Traditional Name: 2-methylhexanoic acid [5-chloro-3-(4-nitrobenzyl)imidazol-4-yl] ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)OC1=C(N=CN1CC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(C)C(=O)OC1=C(N=CN1CC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN3O4/c1-3-4-5-12(2)17(22)25-16-15(18)19-11-20(16)10-13-6-8-14(9-7-13)21(23)24/h6-9,11-12H,3-5,10H2,1-2H3