5-cyclopropyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-(2-hydroxy-5-nitro-benzyl)-1H-pyrazole-3-carboxamide Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC1C2=CC(=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H14N4O4/c19-13-4-3-10(18(21)22)5-9(13)7-15-14(20)12-6-11(16-17-12)8-1-2-8/h3-6,8,19H,1-2,7H2,(H,15,20)(H,16,17)