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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N6O4/c1-21(2,3)17-10-18(26(24-17)15-7-5-4-6-8-15)23-19(28)13-25-12-16(27(30)31)9-14(11-22)20(25)29/h4-10,12H,13H2,1-3H3,(H,23,28)