(4-iodophenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (4-iodophenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (4-iodophenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (4-iodophenyl) ester Formula: C19H16IN3O4 MolecularWeight: 477.25251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)I)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)I)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16IN3O4/c1-12-18(23(25)26)13(2)22(21-12)11-14-3-5-15(6-4-14)19(24)27-17-9-7-16(20)8-10-17/h3-10H,11H2,1-2H3