2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate chloride

Systemtic Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate chloride Openeye Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate chloride CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester chloride IUPAC Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate chloride Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester chloride Formula: C17H16Cl2N4O5 MolecularWeight: 427.23874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC[N+]3=C(NC=C3[N+](=O)[O-])C.[Cl-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC[N+]3=C(NC=C3[N+](=O)[O-])C.[Cl-]

InChI

InChI=1S/C17H15ClN4O5.ClH/c1-10-15(16(20-27-10)12-5-3-4-6-13(12)18)17(23)26-8-7-21-11(2)19-9-14(21)22(24)25;/h3-6,9H,7-8H2,1-2H3;1H