[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C18H14IN3O3 MolecularWeight: 447.22653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)I

InChI

InChI=1S/C18H14IN3O3/c19-15-4-1-2-5-16(15)21-17(23)12-25-18(24)13-6-8-14(9-7-13)22-11-3-10-20-22/h1-11H,12H2,(H,21,23)