N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-(2-nitrophenoxy)acetamide Formula: C21H14N6O4 MolecularWeight: 414.37366

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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)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O4/c22-11-15-12-23-26(19-10-9-14-5-1-2-6-16(14)24-19)21(15)25-20(28)13-31-18-8-4-3-7-17(18)27(29)30/h1-10,12H,13H2,(H,25,28)