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

Systemtic Name: ethyl 2-[3-[(3,5-dinitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(3,5-dinitrobenzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid ethyl ester Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O8/c1-3-33-21(28)17(11(2)26)18-15-6-4-5-7-16(15)19(22-18)23-20(27)12-8-13(24(29)30)10-14(9-12)25(31)32/h4-10H,3H2,1-2H3,(H,22,23,27)