4-[6-(2-chloranyl-4-nitro-phenoxy)hexyl]-3,5-diphenyl-1H-pyrazole

Systemtic Name: 4-[6-(2-chloranyl-4-nitro-phenoxy)hexyl]-3,5-diphenyl-1H-pyrazole Openeye Name: 4-[6-(2-chloro-4-nitro-phenoxy)hexyl]-3,5-diphenyl-1H-pyrazole CAS Name: 4-[6-(2-chloro-4-nitrophenoxy)hexyl]-3,5-diphenyl-1H-pyrazole IUPAC Name: 4-[6-(2-chloro-4-nitrophenoxy)hexyl]-3,5-diphenyl-1H-pyrazole Traditional Name: 4-[6-(2-chloro-4-nitro-phenoxy)hexyl]-3,5-diphenyl-1H-pyrazole Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)CCCCCCOC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)CCCCCCOC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H26ClN3O3/c28-24-19-22(31(32)33)16-17-25(24)34-18-10-2-1-9-15-23-26(20-11-5-3-6-12-20)29-30-27(23)21-13-7-4-8-14-21/h3-8,11-14,16-17,19H,1-2,9-10,15,18H2,(H,29,30)