ethyl 2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[3-[(2-chloro-5-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-chloro-5-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(2-chloro-5-nitro-benzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid ethyl ester Formula: C21H16ClN3O6 MolecularWeight: 441.82124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O6/c1-3-31-21(28)17(11(2)26)18-13-6-4-5-7-14(13)19(23-18)24-20(27)15-10-12(25(29)30)8-9-16(15)22/h4-10H,3H2,1-2H3,(H,23,24,27)