2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H16N6O4/c21-10-14-8-16(26(29)30)11-24(20(14)28)12-19(27)22-18-9-17(13-6-7-13)23-25(18)15-4-2-1-3-5-15/h1-5,8-9,11,13H,6-7,12H2,(H,22,27)