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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-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-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H15N5O7S MolecularWeight: 397.3632

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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)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O7S/c1-8(16)10(5-15)13(20)7-26-14(21)6-18-27(24,25)9-2-3-11(17)12(4-9)19(22)23/h2-4,18H,6-7,16-17H2,1H3/b10-8+