N-(2,6-dimethylphenyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2,6-dimethylphenyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C19H17FN4O4 MolecularWeight: 384.361083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O4/c1-12-4-3-5-13(2)18(12)21-19(25)15-8-9-23(22-15)11-28-17-10-14(20)6-7-16(17)24(26)27/h3-10H,11H2,1-2H3,(H,21,25)