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

Systemtic Name: N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[(3Z)-3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[(3Z)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[(3Z)-3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]-4-nitro-benzamide Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H17N5O5/c23-13-18(22(29)26-9-11-32-12-10-26)19-16-3-1-2-4-17(16)20(24-19)25-21(28)14-5-7-15(8-6-14)27(30)31/h1-8H,9-12H2,(H,24,25,28)/b19-18-