N-(4-cyano-2-phenyl-pyrazol-3-yl)-4-nitro-benzamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-4-nitro-benzamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-4-nitro-benzamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-4-nitrobenzamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-4-nitrobenzamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-4-nitro-benzamide Formula: C17H11N5O3 MolecularWeight: 333.30094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N5O3/c18-10-13-11-19-21(14-4-2-1-3-5-14)16(13)20-17(23)12-6-8-15(9-7-12)22(24)25/h1-9,11H,(H,20,23)