4-[(E)-1-cyano-2-[1-(2-oxidanidyl-2-oxidanylidene-ethyl)indol-3-yl]ethenyl]benzoate

Systemtic Name: 4-[(E)-1-cyano-2-[1-(2-oxidanidyl-2-oxidanylidene-ethyl)indol-3-yl]ethenyl]benzoate Openeye Name: 4-[(E)-1-cyano-2-[1-(2-oxido-2-oxo-ethyl)indol-3-yl]vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-[1-(2-oxido-2-oxoethyl)-3-indolyl]ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-[1-(2-oxido-2-oxoethyl)indol-3-yl]ethenyl]benzoate Traditional Name: 4-[(E)-1-cyano-2-[1-(2-keto-2-oxido-ethyl)indol-3-yl]vinyl]benzoate Formula: C20H12N2O4-2 MolecularWeight: 344.32028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)[O-])C=C(C#N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)[O-])/C=C(/C#N)\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H14N2O4/c21-10-15(13-5-7-14(8-6-13)20(25)26)9-16-11-22(12-19(23)24)18-4-2-1-3-17(16)18/h1-9,11H,12H2,(H,23,24)(H,25,26)/p-2/b15-9-