3,5-dinitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 3,5-dinitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 3,5-dinitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 3,5-dinitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 3,5-dinitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C17H13N5O5 MolecularWeight: 367.31562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O5/c23-17(13-6-15(21(24)25)8-16(7-13)22(26)27)18-9-12-10-19-20(11-12)14-4-2-1-3-5-14/h1-8,10-11H,9H2,(H,18,23)