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

Systemtic Name: 5-(2,5-diethoxy-4-methyl-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2,5-diethoxy-4-methyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(2,5-diethoxy-4-methylphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(2,5-diethoxy-4-methylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2,5-diethoxy-4-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=CC(=C(C=C1C2=C(C(=NN2)N)I)OCC)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=C(C(=NN2)N)I)OCC)C

InChI

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