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

Systemtic Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-1,3-bis(oxidanylidene)indene-5-carboxylic acid Openeye Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-1,3-dioxo-indane-5-carboxylic acid CAS Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-1,3-dioxo-5-indenecarboxylic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-1,3-dioxoindene-5-carboxylic acid Traditional Name: 2-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-1,3-diketo-indane-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)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=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/h3-9,17,29H,2H2,1H3,(H,27,28)/b22-16+