tert-butyl (2Z)-2-[3-[(4-nitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2Z)-2-[3-[(4-nitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl (2Z)-2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: (2Z)-3-keto-2-[3-[(4-nitrobenzoyl)amino]isoindol-1-ylidene]butyric acid tert-butyl ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6/c1-13(27)18(22(29)32-23(2,3)4)19-16-7-5-6-8-17(16)20(24-19)25-21(28)14-9-11-15(12-10-14)26(30)31/h5-12H,1-4H3,(H,24,25,28)/b19-18-