2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-bromanylbenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-bromanylbenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O4/c1-9-15-8-12(17(19)20)16(9)6-7-21-13(18)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3