tert-butyl (2Z)-2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2Z)-2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl (2Z)-2-[3-[(2-chloro-5-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[3-[(2-chloro-5-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: (2Z)-2-[3-[(2-chloro-5-nitro-benzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid tert-butyl ester Formula: C23H20ClN3O6 MolecularWeight: 469.8744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)/C(=C/1\C2=CC=CC=C2C(=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C(=O)OC(C)(C)C

InChI

InChI=1S/C23H20ClN3O6/c1-12(28)18(22(30)33-23(2,3)4)19-14-7-5-6-8-15(14)20(25-19)26-21(29)16-11-13(27(31)32)9-10-17(16)24/h5-11H,1-4H3,(H,25,26,29)/b19-18-