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

Systemtic Name: 4-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-nitro-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-chloro-2-nitro-benzamide CAS Name: 4-chloro-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-chloro-2-nitro-benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c1-13-18(14(2)24(23-13)12-15-6-4-3-5-7-15)11-22-20(26)17-9-8-16(21)10-19(17)25(27)28/h3-10H,11-12H2,1-2H3,(H,22,26)