5-(4-chlorophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-(2-hydroxy-5-nitro-benzyl)-1H-pyrazole-4-carboxamide Formula: C17H13ClN4O4 MolecularWeight: 372.76252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C17H13ClN4O4/c18-12-3-1-10(2-4-12)16-14(9-20-21-16)17(24)19-8-11-7-13(22(25)26)5-6-15(11)23/h1-7,9,23H,8H2,(H,19,24)(H,20,21)