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

Systemtic Name: propan-2-yl (2Z)-2-[3-[(3,5-dinitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H18N4O8 MolecularWeight: 466.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O8/c1-11(2)34-22(29)18(12(3)27)19-16-6-4-5-7-17(16)20(23-19)24-21(28)13-8-14(25(30)31)10-15(9-13)26(32)33/h4-11H,1-3H3,(H,23,24,28)/b19-18-