tert-butyl 2-[3-[(3-methyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[3-[(3-methyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[3-[(3-methyl-4-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-methyl-4-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-[(3-methyl-4-nitro-benzoyl)amino]isoindol-1-ylidene]butyric acid tert-butyl ester Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC(C)(C)C)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC(C)(C)C)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6/c1-13-12-15(10-11-18(13)27(31)32)22(29)26-21-17-9-7-6-8-16(17)20(25-21)19(14(2)28)23(30)33-24(3,4)5/h6-12H,1-5H3,(H,25,26,29)