[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16INO3/c1-11-4-3-5-13(8-11)17(21)22-10-16(20)19-15-7-6-14(18)9-12(15)2/h3-9H,10H2,1-2H3,(H,19,20)