5-iodanyl-1-(4-nitrophenyl)-3-(phenylmethoxymethyl)pyrazole

Systemtic Name: 5-iodanyl-1-(4-nitrophenyl)-3-(phenylmethoxymethyl)pyrazole Openeye Name: 3-(benzyloxymethyl)-5-iodo-1-(4-nitrophenyl)pyrazole CAS Name: 5-iodo-1-(4-nitrophenyl)-3-(phenylmethoxymethyl)pyrazole IUPAC Name: 5-iodo-1-(4-nitrophenyl)-3-(phenylmethoxymethyl)pyrazole Traditional Name: 3-(benzoxymethyl)-5-iodo-1-(4-nitrophenyl)pyrazole Formula: C17H14IN3O3 MolecularWeight: 435.21583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14IN3O3/c18-17-10-14(12-24-11-13-4-2-1-3-5-13)19-20(17)15-6-8-16(9-7-15)21(22)23/h1-10H,11-12H2