tert-butyl (2Z)-2-[3-[(3,5-dinitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2Z)-2-[3-[(3,5-dinitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl (2Z)-2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: (2Z)-2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid tert-butyl ester Formula: C23H20N4O8 MolecularWeight: 480.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H20N4O8/c1-12(28)18(22(30)35-23(2,3)4)19-16-7-5-6-8-17(16)20(24-19)25-21(29)13-9-14(26(31)32)11-15(10-13)27(33)34/h5-11H,1-4H3,(H,24,25,29)/b19-18-