(Z)-2-cyano-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]but-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]but-2-enoic acid Openeye Name: (Z)-2-cyano-3-[4-(1-oxoisoindolin-2-yl)phenyl]but-2-enoic acid CAS Name: (Z)-2-cyano-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-butenoic acid IUPAC Name: (Z)-2-cyano-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]but-2-enoic acid Traditional Name: (Z)-2-cyano-3-[4-(1-ketoisoindolin-2-yl)phenyl]but-2-enoic acid Formula: C19H14N2O3 MolecularWeight: 318.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

C/C(=C(\C#N)/C(=O)O)/C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H14N2O3/c1-12(17(10-20)19(23)24)13-6-8-15(9-7-13)21-11-14-4-2-3-5-16(14)18(21)22/h2-9H,11H2,1H3,(H,23,24)/b17-12-