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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C21H18N2O5/c1-3-4-9-23-19(24)15-7-6-14(11-16(15)20(23)25)21(26)28-17-8-5-13(12-22)10-18(17)27-2/h5-8,10-11H,3-4,9H2,1-2H3