methyl 4-(4-bromanyl-2-butyl-3-nitro-2H-imidazol-1-yl)benzoate

Systemtic Name: methyl 4-(4-bromanyl-2-butyl-3-nitro-2H-imidazol-1-yl)benzoate Openeye Name: methyl 4-(4-bromo-2-butyl-3-nitro-2H-imidazol-1-yl)benzoate CAS Name: 4-(4-bromo-2-butyl-3-nitro-2H-imidazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-bromo-2-butyl-3-nitro-2H-imidazol-1-yl)benzoate Traditional Name: 4-(4-bromo-2-butyl-3-nitro-4-imidazolin-1-yl)benzoic acid methyl ester Formula: C15H18BrN3O4 MolecularWeight: 384.22512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1[N+](=O)[O-])Br)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1N(C=C(N1[N+](=O)[O-])Br)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H18BrN3O4/c1-3-4-5-14-17(10-13(16)18(14)19(21)22)12-8-6-11(7-9-12)15(20)23-2/h6-10,14H,3-5H2,1-2H3