N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[2-(butylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H19N5O4/c1-2-3-11-24-22(29)18(13-23)19-16-9-4-5-10-17(16)20(25-19)26-21(28)14-7-6-8-15(12-14)27(30)31/h4-10,12H,2-3,11H2,1H3,(H,24,29)(H,25,26,28)/b19-18-