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

Systemtic Name: N-[3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[3-[1-cyano-2-oxo-2-(1-piperidyl)ethylidene]isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[3-[1-cyano-2-oxo-2-(1-piperidinyl)ethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[3-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[3-(1-cyano-2-keto-2-piperidino-ethylidene)isoindol-1-yl]-4-nitro-benzamide Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H19N5O4/c24-14-19(23(30)27-12-4-1-5-13-27)20-17-6-2-3-7-18(17)21(25-20)26-22(29)15-8-10-16(11-9-15)28(31)32/h2-3,6-11H,1,4-5,12-13H2,(H,25,26,29)