[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H14INO3 MolecularWeight: 395.19173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C16H14INO3/c1-11-5-7-12(8-6-11)16(20)21-10-15(19)18-14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,19)