phenyl 4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: phenyl 4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: phenyl 4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-2-hydroxy-benzoate CAS Name: 4-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-2-hydroxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-2-hydroxybenzoate Traditional Name: 4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-2-hydroxy-benzoic acid phenyl ester Formula: C23H20BrNO7 MolecularWeight: 502.3114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3)O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3)O)Br)OC)OC

InChI

InChI=1S/C23H20BrNO7/c1-29-18-12-16(19(24)21(31-3)20(18)30-2)22(27)25-13-9-10-15(17(26)11-13)23(28)32-14-7-5-4-6-8-14/h4-12,26H,1-3H3,(H,25,27)