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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(4-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyramide Formula: C25H17N7O5 MolecularWeight: 495.44638

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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)CCCN4C(=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)CCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N7O5/c26-13-16-14-27-31(20-11-10-15-5-1-2-7-18(15)28-20)23(16)29-21(33)9-4-12-30-24(34)17-6-3-8-19(32(36)37)22(17)25(30)35/h1-3,5-8,10-11,14H,4,9,12H2,(H,29,33)