N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide CAS Name: N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide Formula: C21H15N7O3 MolecularWeight: 413.3889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N7O3/c22-10-15-6-8-17(9-7-15)24-20(29)14-26-13-19(28(30)31)21(25-26)16-11-23-27(12-16)18-4-2-1-3-5-18/h1-9,11-13H,14H2,(H,24,29)