(2-chloranyl-4-cyano-6-methoxy-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-6-methoxy-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-chloro-4-cyano-6-methoxy-phenyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (2-chloro-4-cyano-6-methoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-methoxyphenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (2-chloro-4-cyano-6-methoxy-phenyl) ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3Cl)C#N)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3Cl)C#N)OC

InChI

InChI=1S/C21H17ClN2O5/c1-3-4-7-24-19(25)14-6-5-13(10-15(14)20(24)26)21(27)29-18-16(22)8-12(11-23)9-17(18)28-2/h5-6,8-10H,3-4,7H2,1-2H3