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

Systemtic Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate Openeye Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid 2-(4-nitrophenyl)ethyl ester IUPAC Name: 2-(4-nitrophenyl)ethyl 3-methylimidazol-3-ium-1-carboxylate Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid 2-(4-nitrophenyl)ethyl ester Formula: C13H14N3O4+ MolecularWeight: 276.26796

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N3O4/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/q+1