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

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitrobenzamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dinitro-benzamide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-2-16-8-9(7-15-16)6-14-13(19)10-3-11(17(20)21)5-12(4-10)18(22)23/h3-5,7-8H,2,6H2,1H3,(H,14,19)