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

Systemtic Name: propan-2-yl (2Z)-2-[3-[(4-nitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6/c1-12(2)31-22(28)18(13(3)26)19-16-6-4-5-7-17(16)20(23-19)24-21(27)14-8-10-15(11-9-14)25(29)30/h4-12H,1-3H3,(H,23,24,27)/b19-18-