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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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