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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]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-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H19N5O7S MolecularWeight: 425.41636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O7S/c1-10(18)12(7-17)15(22)9-28-16(23)8-19-29(26,27)11-4-5-13(20(2)3)14(6-11)21(24)25/h4-6,19H,8-9,18H2,1-3H3/b12-10+