2-butyl-1-chloranyl-5-methoxy-4-methyl-3-[(4-nitrophenyl)methyl]-2H-imidazole

Systemtic Name: 2-butyl-1-chloranyl-5-methoxy-4-methyl-3-[(4-nitrophenyl)methyl]-2H-imidazole Openeye Name: 2-butyl-1-chloro-5-methoxy-4-methyl-3-[(4-nitrophenyl)methyl]-2H-imidazole CAS Name: 2-butyl-1-chloro-5-methoxy-4-methyl-3-[(4-nitrophenyl)methyl]-2H-imidazole IUPAC Name: 2-butyl-1-chloro-5-methoxy-4-methyl-3-[(4-nitrophenyl)methyl]-2H-imidazole Traditional Name: 2-butyl-1-chloro-5-methoxy-4-methyl-3-(4-nitrobenzyl)-4-imidazoline Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C(=C(N1Cl)OC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1N(C(=C(N1Cl)OC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O3/c1-4-5-6-15-18(12(2)16(23-3)19(15)17)11-13-7-9-14(10-8-13)20(21)22/h7-10,15H,4-6,11H2,1-3H3