2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H10ClN5O8 MolecularWeight: 399.7002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O8/c1-7-15-6-11(19(25)26)16(7)2-3-27-13(20)8-4-9(17(21)22)12(14)10(5-8)18(23)24/h4-6H,2-3H2,1H3