N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H16N6O5 MolecularWeight: 444.39964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C22H16N6O5/c1-32-18-9-15(17(28(30)31)10-19(18)33-2)22(29)26-21-14(11-23)12-24-27(21)20-8-7-13-5-3-4-6-16(13)25-20/h3-10,12H,1-2H3,(H,26,29)