methyl 4-[[2-bromanyl-3,6-bis(oxidanyl)phenyl]methylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 4-[[2-bromanyl-3,6-bis(oxidanyl)phenyl]methylamino]-2-chloranyl-benzoate Openeye Name: methyl 4-[(2-bromo-3,6-dihydroxy-phenyl)methylamino]-2-chloro-benzoate CAS Name: 4-[(2-bromo-3,6-dihydroxyphenyl)methylamino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[(2-bromo-3,6-dihydroxyphenyl)methylamino]-2-chlorobenzoate Traditional Name: 4-[(2-bromo-3,6-dihydroxy-benzyl)amino]-2-chloro-benzoic acid methyl ester Formula: C15H13BrClNO4 MolecularWeight: 386.62502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2Br)O)O)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2Br)O)O)Cl

InChI

InChI=1S/C15H13BrClNO4/c1-22-15(21)9-3-2-8(6-11(9)17)18-7-10-12(19)4-5-13(20)14(10)16/h2-6,18-20H,7H2,1H3