5-[[4-[2,4-bis(bromanyl)phenoxy]-3-bromanyl-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[2,4-bis(bromanyl)phenoxy]-3-bromanyl-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-bromo-4-(2,4-dibromophenoxy)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-bromo-4-(2,4-dibromophenoxy)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-bromo-4-(2,4-dibromophenoxy)anilino]-5-oxopentanoic acid Traditional Name: 5-[3-bromo-4-(2,4-dibromophenoxy)anilino]-5-keto-valeric acid Formula: C17H14Br3NO4 MolecularWeight: 536.00936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCC(=O)O)Br)OC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCC(=O)O)Br)OC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C17H14Br3NO4/c18-10-4-6-14(12(19)8-10)25-15-7-5-11(9-13(15)20)21-16(22)2-1-3-17(23)24/h4-9H,1-3H2,(H,21,22)(H,23,24)