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

Systemtic Name: 5-(2-ethoxy-5-methyl-3-nitro-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-ethoxy-5-methyl-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(2-ethoxy-5-methyl-3-nitrophenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(2-ethoxy-5-methyl-3-nitrophenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-ethoxy-5-methyl-3-nitro-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C12H13IN4O3 MolecularWeight: 388.16109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=C(C(=NN2)N)I)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=C(C(=NN2)N)I)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13IN4O3/c1-3-20-11-7(10-9(13)12(14)16-15-10)4-6(2)5-8(11)17(18)19/h4-5H,3H2,1-2H3,(H3,14,15,16)