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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(p-tolylmethylamino)ethylidene]isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-[(4-methylbenzyl)amino]ethylidene]isoindol-1-yl]-4-nitro-benzamide Formula: C26H19N5O4 MolecularWeight: 465.46016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C26H19N5O4/c1-16-6-8-17(9-7-16)15-28-26(33)22(14-27)23-20-4-2-3-5-21(20)24(29-23)30-25(32)18-10-12-19(13-11-18)31(34)35/h2-13H,15H2,1H3,(H,28,33)(H,29,30,32)/b23-22-