(3-bromophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate Openeye Name: (3-bromophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate CAS Name: 2,3-dimethyl-5-nitro-4-imidazolecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate Traditional Name: 2,3-dimethyl-5-nitro-imidazole-4-carboxylic acid (3-bromobenzyl) ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O4/c1-8-15-12(17(19)20)11(16(8)2)13(18)21-7-9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3