N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dinitro-benzamide Formula: C23H16FN5O5 MolecularWeight: 461.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16FN5O5/c24-18-8-6-15(7-9-18)22-17(14-27(26-22)19-4-2-1-3-5-19)13-25-23(30)16-10-20(28(31)32)12-21(11-16)29(33)34/h1-12,14H,13H2,(H,25,30)