4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-methyl-benzoate

Systemtic Name: 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-methyl-benzoate Openeye Name: 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-3-methyl-benzoate Formula: C17H14Br2NO4- MolecularWeight: 456.10536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)[O-])C)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)[O-])C)Br)Br

InChI

InChI=1S/C17H15Br2NO4/c1-9-5-11(17(22)23)3-4-14(9)20-15(21)8-24-16-10(2)6-12(18)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)/p-1