methyl 4-[(5-bromanyl-2-butyl-4-nitro-imidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-butyl-4-nitro-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5-bromo-2-butyl-4-nitro-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(5-bromo-2-butyl-4-nitro-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-butyl-4-nitroimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(5-bromo-2-butyl-4-nitro-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O4/c1-3-4-5-13-18-15(20(22)23)14(17)19(13)10-11-6-8-12(9-7-11)16(21)24-2/h6-9H,3-5,10H2,1-2H3