propan-2-yl 4-[[4-bromanyl-2,5-bis(oxidanyl)phenyl]methylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-bromanyl-2,5-bis(oxidanyl)phenyl]methylamino]benzoate Openeye Name: isopropyl 4-[(4-bromo-2,5-dihydroxy-phenyl)methylamino]benzoate CAS Name: 4-[(4-bromo-2,5-dihydroxyphenyl)methylamino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-bromo-2,5-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(4-bromo-2,5-dihydroxy-benzyl)amino]benzoic acid isopropyl ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C=C2O)Br)O

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C=C2O)Br)O

InChI

InChI=1S/C17H18BrNO4/c1-10(2)23-17(22)11-3-5-13(6-4-11)19-9-12-7-16(21)14(18)8-15(12)20/h3-8,10,19-21H,9H2,1-2H3