4-iodanyl-5-(3-nitro-4-phenylmethoxy-phenyl)-1H-pyrazol-3-amine

Systemtic Name: 4-iodanyl-5-(3-nitro-4-phenylmethoxy-phenyl)-1H-pyrazol-3-amine Openeye Name: 5-(4-benzyloxy-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 4-iodo-5-(3-nitro-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine IUPAC Name: 4-iodo-5-(3-nitro-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine Traditional Name: [5-(4-benzoxy-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C16H13IN4O3 MolecularWeight: 436.20389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=C(C(=NN3)N)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=C(C(=NN3)N)I)[N+](=O)[O-]

InChI

InChI=1S/C16H13IN4O3/c17-14-15(19-20-16(14)18)11-6-7-13(12(8-11)21(22)23)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,19,20)