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

Systemtic Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O5/c1-32-11-5-10-24-22(29)18(13-23)19-16-8-2-3-9-17(16)20(25-19)26-21(28)14-6-4-7-15(12-14)27(30)31/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,29)(H,25,26,28)