4-butyl-5-iodanyl-1-(4-nitrophenyl)pyrazole

Systemtic Name: 4-butyl-5-iodanyl-1-(4-nitrophenyl)pyrazole Openeye Name: 4-butyl-5-iodo-1-(4-nitrophenyl)pyrazole CAS Name: 4-butyl-5-iodo-1-(4-nitrophenyl)pyrazole IUPAC Name: 4-butyl-5-iodo-1-(4-nitrophenyl)pyrazole Traditional Name: 4-butyl-5-iodo-1-(4-nitrophenyl)pyrazole Formula: C13H14IN3O2 MolecularWeight: 371.17363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

CCCCC1=C(N(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])I

InChI

InChI=1S/C13H14IN3O2/c1-2-3-4-10-9-15-16(13(10)14)11-5-7-12(8-6-11)17(18)19/h5-9H,2-4H2,1H3