[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H13N3O7S MolecularWeight: 367.33392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=C)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=C)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7S/c1-8(16)10(6-15)12(18)7-24-14(19)9-3-4-13(25(2,22)23)11(5-9)17(20)21/h3-5,10H,1,7,16H2,2H3/t10-/m0/s1