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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N4O7S MolecularWeight: 396.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])/N

InChI

InChI=1S/C15H16N4O7S/c1-9(17)11(6-16)14(20)8-26-15(21)7-18-12-4-3-10(27(2,24)25)5-13(12)19(22)23/h3-5,18H,7-8,17H2,1-2H3/b11-9+