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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-hydroxy-4-nitro-benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-17(14(2)23(22-13)12-15-6-4-3-5-7-15)11-21-20(26)16-8-9-18(24(27)28)19(25)10-16/h3-10,25H,11-12H2,1-2H3,(H,21,26)