[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C18H16INO4 MolecularWeight: 437.22841

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H16INO4/c19-13-5-3-4-12(10-13)18(22)24-11-17(21)20-15-8-9-23-16-7-2-1-6-14(15)16/h1-7,10,15H,8-9,11H2,(H,20,21)