ethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[(1E)-1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoate CAS Name: 4-[(3E)-3-[(4-chloroanilino)-oxomethyl]imino-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3E)-3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoate Traditional Name: 4-[(1E)-1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoic acid ethyl ester Formula: C24H20ClN3O3 MolecularWeight: 433.8869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N\2CC3=CC=CC=C3/C2=N\C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O3/c1-2-31-23(29)16-7-13-20(14-8-16)28-15-17-5-3-4-6-21(17)22(28)27-24(30)26-19-11-9-18(25)10-12-19/h3-14H,2,15H2,1H3,(H,26,30)/b27-22+