2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H12Cl2N4O4 MolecularWeight: 359.16478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2N)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2N)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12Cl2N4O4/c1-7-17-6-11(19(21)22)18(7)2-3-23-13(20)9-4-8(14)5-10(15)12(9)16/h4-6H,2-3,16H2,1H3