(2-cyano-5-nitro-imidazol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyano-5-nitro-imidazol-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-cyano-5-nitro-imidazol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-5-nitro-1-imidazolyl) ester IUPAC Name: (2-cyano-5-nitroimidazol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-5-nitro-imidazol-1-yl) ester Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CN=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CN=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5S/c1-8-2-4-9(5-3-8)21(18,19)20-14-10(6-12)13-7-11(14)15(16)17/h2-5,7H,1H3