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

Systemtic Name: propan-2-yl 4-[[2-bromanyl-3,6-bis(oxidanyl)phenyl]methylamino]-2-chloranyl-benzoate Openeye Name: isopropyl 4-[(2-bromo-3,6-dihydroxy-phenyl)methylamino]-2-chloro-benzoate CAS Name: 4-[(2-bromo-3,6-dihydroxyphenyl)methylamino]-2-chlorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-bromo-3,6-dihydroxyphenyl)methylamino]-2-chlorobenzoate Traditional Name: 4-[(2-bromo-3,6-dihydroxy-benzyl)amino]-2-chloro-benzoic acid isopropyl ester Formula: C17H17BrClNO4 MolecularWeight: 414.67818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClNO4/c1-9(2)24-17(23)11-4-3-10(7-13(11)19)20-8-12-14(21)5-6-15(22)16(12)18/h3-7,9,20-22H,8H2,1-2H3