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

Systemtic Name: methyl 2-[3-[(3,5-dinitrophenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H14N4O8 MolecularWeight: 438.34716

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O8/c1-10(25)16(20(27)32-2)17-14-5-3-4-6-15(14)18(21-17)22-19(26)11-7-12(23(28)29)9-13(8-11)24(30)31/h3-9H,1-2H3,(H,21,22,26)