[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C23H19N3O8S MolecularWeight: 497.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O8S/c1-2-32-21-13-16(12-17(14-24)23(27)25-15-18-6-5-11-33-18)9-10-20(21)34-35(30,31)22-8-4-3-7-19(22)26(28)29/h3-13H,2,15H2,1H3,(H,25,27)/b17-12+