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

Systemtic Name: ethyl 2-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[3-[(4-chloro-3-nitro-benzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-chloro-3-nitrobenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(4-chloro-3-nitro-benzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid ethyl ester Formula: C21H16ClN3O6 MolecularWeight: 441.82124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])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)12-8-9-15(22)16(10-12)25(29)30/h4-10H,3H2,1-2H3,(H,23,24,27)