3,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-hydroxy-5-nitro-benzyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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