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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(2-hydroxy-5-nitro-benzyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H22N4O6/c1-34-22-11-8-16(13-23(22)35-2)24-20(15-28(27-24)18-6-4-3-5-7-18)25(31)26-14-17-12-19(29(32)33)9-10-21(17)30/h3-13,15,30H,14H2,1-2H3,(H,26,31)