[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C17H16INO5 MolecularWeight: 441.21711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I)OC

InChI

InChI=1S/C17H16INO5/c1-22-14-8-3-11(9-15(14)23-2)17(21)24-10-16(20)19-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,20)