5-(furan-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-(2-hydroxy-5-nitro-benzyl)-2-phenyl-pyrazole-3-carboxamide Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H16N4O5/c26-19-9-8-16(25(28)29)11-14(19)13-22-21(27)18-12-17(20-7-4-10-30-20)23-24(18)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,27)