5-(4,5-diethoxy-2-methyl-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(4,5-diethoxy-2-methyl-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(4,5-diethoxy-2-methyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(4,5-diethoxy-2-methylphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(4,5-diethoxy-2-methylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(4,5-diethoxy-2-methyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C14H18IN3O2 MolecularWeight: 387.21609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C2=C(C(=NN2)N)I)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C2=C(C(=NN2)N)I)OCC

InChI

InChI=1S/C14H18IN3O2/c1-4-19-10-6-8(3)9(7-11(10)20-5-2)13-12(15)14(16)18-17-13/h6-7H,4-5H2,1-3H3,(H3,16,17,18)