N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C23H13N7O5 MolecularWeight: 467.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H13N7O5/c24-10-14-11-25-29(19-8-5-13-3-1-2-4-18(13)26-19)21(14)27-20(31)12-28-22(32)16-7-6-15(30(34)35)9-17(16)23(28)33/h1-9,11H,12H2,(H,27,31)