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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])/N

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/h3-5H,7,16H2,1-2H3/b10-8+