N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide Formula: C22H16N6O4 MolecularWeight: 428.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O4/c1-14-10-20(25-17-7-3-2-6-16(14)17)27-22(15(11-23)12-24-27)26-21(29)13-32-19-9-5-4-8-18(19)28(30)31/h2-10,12H,13H2,1H3,(H,26,29)