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

Systemtic Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]-3-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(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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