2-(2-nitrophenyl)propyl 3-methylimidazol-3-ium-1-carboxylate

Systemtic Name: 2-(2-nitrophenyl)propyl 3-methylimidazol-3-ium-1-carboxylate Openeye Name: 2-(2-nitrophenyl)propyl 3-methylimidazol-3-ium-1-carboxylate CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid 2-(2-nitrophenyl)propyl ester IUPAC Name: 2-(2-nitrophenyl)propyl 3-methylimidazol-3-ium-1-carboxylate Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid 2-(2-nitrophenyl)propyl ester Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C=C[N+](=C1)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)N1C=C[N+](=C1)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H16N3O4/c1-11(12-5-3-4-6-13(12)17(19)20)9-21-14(18)16-8-7-15(2)10-16/h3-8,10-11H,9H2,1-2H3/q+1