methyl 4-[5-iodanyl-1-(4-nitrophenyl)pyrazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-iodanyl-1-(4-nitrophenyl)pyrazol-3-yl]benzoate Openeye Name: methyl 4-[5-iodo-1-(4-nitrophenyl)pyrazol-3-yl]benzoate CAS Name: 4-[5-iodo-1-(4-nitrophenyl)-3-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-iodo-1-(4-nitrophenyl)pyrazol-3-yl]benzoate Traditional Name: 4-[5-iodo-1-(4-nitrophenyl)pyrazol-3-yl]benzoic acid methyl ester Formula: C17H12IN3O4 MolecularWeight: 449.19935

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C(=C2)I)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12IN3O4/c1-25-17(22)12-4-2-11(3-5-12)15-10-16(18)20(19-15)13-6-8-14(9-7-13)21(23)24/h2-10H,1H3