(2-chloranyl-4-cyano-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-chloro-4-cyano-phenyl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (2-chloro-4-cyano-phenyl) ester Formula: C18H11ClN2O4 MolecularWeight: 354.74394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H11ClN2O4/c19-14-9-11(10-20)5-6-15(14)25-16(22)7-8-21-17(23)12-3-1-2-4-13(12)18(21)24/h1-6,9H,7-8H2