(2-chloranyl-4-cyano-6-ethoxy-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2-chloranyl-4-cyano-6-ethoxy-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-chloro-4-cyano-6-ethoxy-phenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2-chloro-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-ethoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-chloro-4-cyano-6-ethoxy-phenyl) ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H17ClN2O5/c1-2-28-17-11-13(12-23)10-16(22)19(17)29-18(25)8-5-9-24-20(26)14-6-3-4-7-15(14)21(24)27/h3-4,6-7,10-11H,2,5,8-9H2,1H3