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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(1,3-diketo-4-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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

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