tert-butyl 2-[3-[(3-chlorophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[3-[(3-chlorobenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3-chlorophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-chlorobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(3-chlorobenzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid tert-butyl ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H21ClN2O4/c1-13(27)18(22(29)30-23(2,3)4)19-16-10-5-6-11-17(16)20(25-19)26-21(28)14-8-7-9-15(24)12-14/h5-12H,1-4H3,(H,25,26,28)