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

Systemtic Name: tert-butyl 2-[3-(2-chloranylethanoylamino)isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[(2-chloro-1-oxoethyl)amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(2-chloroacetyl)amino]isoindol-1-ylidene]-3-keto-butyric acid tert-butyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)CCl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)CCl)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H19ClN2O4/c1-10(22)14(17(24)25-18(2,3)4)15-11-7-5-6-8-12(11)16(21-15)20-13(23)9-19/h5-8H,9H2,1-4H3,(H,20,21,23)