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

Systemtic Name: 3,5-diethyl-4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]-1H-pyrazole Openeye Name: 3,5-diethyl-4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]-1H-pyrazole CAS Name: 3,5-diethyl-4-[6-(4-methoxy-2-nitrophenoxy)hexyl]-1H-pyrazole IUPAC Name: 3,5-diethyl-4-[6-(4-methoxy-2-nitrophenoxy)hexyl]-1H-pyrazole Traditional Name: 3,5-diethyl-4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]-1H-pyrazole Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O4/c1-4-17-16(18(5-2)22-21-17)10-8-6-7-9-13-27-20-12-11-15(26-3)14-19(20)23(24)25/h11-12,14H,4-10,13H2,1-3H3,(H,21,22)