N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2,4-dinitro-benzamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2,4-dinitro-benzamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2,4-dinitrobenzamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,4-dinitrobenzamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2,4-dinitro-benzamide Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-12-18(13(2)22(21-12)11-14-6-4-3-5-7-14)20-19(25)16-9-8-15(23(26)27)10-17(16)24(28)29/h3-10H,11H2,1-2H3,(H,20,25)