[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H12ClIN2O3 MolecularWeight: 454.64625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H12ClIN2O3/c1-10(24-17(23)11-3-2-4-13(19)7-11)16(22)21-14-6-5-12(9-20)15(18)8-14/h2-8,10H,1H3,(H,21,22)