N-[3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-nitro-benzamide Formula: C26H19N5O4 MolecularWeight: 465.46016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C26H19N5O4/c27-16-22(26(33)28-15-14-17-6-2-1-3-7-17)23-20-8-4-5-9-21(20)24(29-23)30-25(32)18-10-12-19(13-11-18)31(34)35/h1-13H,14-15H2,(H,28,33)(H,29,30,32)