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

Systemtic Name: ethyl 2-[3-[(3-methyl-4-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6/c1-4-31-22(28)18(13(3)26)19-15-7-5-6-8-16(15)20(23-19)24-21(27)14-9-10-17(25(29)30)12(2)11-14/h5-11H,4H2,1-3H3,(H,23,24,27)