(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate CAS Name: 2,3-dimethyl-5-nitro-4-imidazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate Traditional Name: 2,3-dimethyl-5-nitro-imidazole-4-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C14H12BrN3O6 MolecularWeight: 398.16558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN3O6/c1-7-16-13(18(20)21)12(17(7)2)14(19)22-5-8-3-10-11(4-9(8)15)24-6-23-10/h3-4H,5-6H2,1-2H3