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

Systemtic Name: 5-chloranyl-1-(4-fluorophenyl)-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-(4-fluorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-1-(4-fluorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-(4-fluorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylpyrazole-4-carboxamide Traditional Name: 5-chloro-1-(4-fluorophenyl)-N-(2-hydroxy-5-nitro-benzyl)-3-methyl-pyrazole-4-carboxamide Formula: C18H14ClFN4O4 MolecularWeight: 404.779563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14ClFN4O4/c1-10-16(17(19)23(22-10)13-4-2-12(20)3-5-13)18(26)21-9-11-8-14(24(27)28)6-7-15(11)25/h2-8,25H,9H2,1H3,(H,21,26)