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

Systemtic Name: 5-iodanyl-1-(4-nitrophenyl)-3-(phenylmethyl)pyrazole Openeye Name: 3-benzyl-5-iodo-1-(4-nitrophenyl)pyrazole CAS Name: 5-iodo-1-(4-nitrophenyl)-3-(phenylmethyl)pyrazole IUPAC Name: 3-benzyl-5-iodo-1-(4-nitrophenyl)pyrazole Traditional Name: 3-benzyl-5-iodo-1-(4-nitrophenyl)pyrazole Formula: C16H12IN3O2 MolecularWeight: 405.18985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12IN3O2/c17-16-11-13(10-12-4-2-1-3-5-12)18-19(16)14-6-8-15(9-7-14)20(21)22/h1-9,11H,10H2