1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-hexyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-hexyl-pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-hexyl-pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-hexyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-hexylpyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-hexyl-pyrazole-3-carboxamide Formula: C17H21ClN4O4 MolecularWeight: 380.82604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN4O4/c1-2-3-4-5-9-19-17(23)15-8-10-21(20-15)12-26-16-7-6-13(22(24)25)11-14(16)18/h6-8,10-11H,2-5,9,12H2,1H3,(H,19,23)