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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-keto-ethylidene]isoindol-1-yl]-4-nitro-benzamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4/c1-13(2)12-24-22(29)18(11-23)19-16-5-3-4-6-17(16)20(25-19)26-21(28)14-7-9-15(10-8-14)27(30)31/h3-10,13H,12H2,1-2H3,(H,24,29)(H,25,26,28)/b19-18-