4-iodanyl-5-(5-methyl-3-nitro-2-phenylmethoxy-phenyl)-1H-pyrazol-3-amine

Systemtic Name: 4-iodanyl-5-(5-methyl-3-nitro-2-phenylmethoxy-phenyl)-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-methyl-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 4-iodo-5-(5-methyl-3-nitro-2-phenylmethoxyphenyl)-1H-pyrazol-3-amine IUPAC Name: 4-iodo-5-(5-methyl-3-nitro-2-phenylmethoxyphenyl)-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-methyl-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C17H15IN4O3 MolecularWeight: 450.23047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15IN4O3/c1-10-7-12(15-14(18)17(19)21-20-15)16(13(8-10)22(23)24)25-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H3,19,20,21)