2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,4-bis(chloranyl)benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,4-bis(chloranyl)benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H11Cl2N3O4 MolecularWeight: 344.15014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N3O4/c1-8-16-7-12(18(20)21)17(8)4-5-22-13(19)10-3-2-9(14)6-11(10)15/h2-3,6-7H,4-5H2,1H3