[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic 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] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H16BrNO5/c19-11-5-6-15(21)13(9-11)18(23)25-10-17(22)20-14-7-8-24-16-4-2-1-3-12(14)16/h1-6,9,14,21H,7-8,10H2,(H,20,22)