[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H18IN3O3 MolecularWeight: 475.27969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C20H18IN3O3/c21-16-5-4-6-17(11-16)23-19(25)14-27-20(26)10-9-15-12-22-24(13-15)18-7-2-1-3-8-18/h1-8,11-13H,9-10,14H2,(H,23,25)