2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate chloride

Systemtic Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate chloride Openeye Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate chloride CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid 2-(4-nitrophenyl)ethyl ester chloride IUPAC Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate chloride Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester chloride Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H14N3O4.ClH/c1-14-7-8-15(10-14)13(17)20-9-6-11-2-4-12(5-3-11)16(18)19;/h2-5,7-8,10H,6,9H2,1H3;1H/q+1;/p-1