3-[[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)NC(=O)CC(=O)O

InChI

InChI=1S/C17H16BrNO5/c1-9-5-11(19-15(21)8-16(22)23)6-10(2)17(9)24-12-3-4-14(20)13(18)7-12/h3-7,20H,8H2,1-2H3,(H,19,21)(H,22,23)