2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester IUPAC Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester Formula: C13H13N4O6+ MolecularWeight: 321.26552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CN1)[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3/p+1