[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C25H20IN3O3 MolecularWeight: 537.34907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC(=CC=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC(=CC=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C25H20IN3O3/c1-17-10-12-18(13-11-17)22-15-23(29(28-22)21-8-3-2-4-9-21)27-24(30)16-32-25(31)19-6-5-7-20(26)14-19/h2-15H,16H2,1H3,(H,27,30)