2-(2-chloranyl-4-nitro-phenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-chloro-4-nitro-phenoxy)acetamide CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chloro-4-nitrophenoxy)acetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-chloro-4-nitro-phenoxy)acetamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4/c1-14-18(15(2)25(24-14)12-16-6-4-3-5-7-16)11-23-21(27)13-30-20-9-8-17(26(28)29)10-19(20)22/h3-10H,11-13H2,1-2H3,(H,23,27)