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

Systemtic Name: 2-[4-[(Z)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-[(Z)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[(Z)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-[(Z)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-[(Z)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=C(C=C1)N2C(=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)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)/O

InChI

InChI=1S/C21H14N2O7/c1-2-30-21(29)16(10-22)17(24)11-3-6-13(7-4-11)23-18(25)14-8-5-12(20(27)28)9-15(14)19(23)26/h3-9,29H,2H2,1H3,(H,27,28)/b21-16-