2-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-3-oxidanyl-1-oxidanylidene-indene-5-carboxylic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-3-oxidanyl-1-oxidanylidene-indene-5-carboxylic acid Openeye Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-3-hydroxy-1-oxo-indene-5-carboxylic acid CAS Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-3-hydroxy-1-oxo-5-indenecarboxylic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-3-hydroxy-1-oxoindene-5-carboxylic acid Traditional Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-3-hydroxy-1-keto-indene-5-carboxylic acid Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)C(=O)O)O)O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)C(=O)O)O)/O

InChI

InChI=1S/C22H15NO7/c1-2-30-22(29)16(10-23)18(24)12-5-3-11(4-6-12)17-19(25)14-8-7-13(21(27)28)9-15(14)20(17)26/h3-9,26,29H,2H2,1H3,(H,27,28)/b22-16+