2-[[(E)-3-(4-bromanyl-3-chloranyl-phenyl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[(E)-3-(4-bromanyl-3-chloranyl-phenyl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[(E)-3-(4-bromo-3-chloro-phenyl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(E)-3-(4-bromo-3-chlorophenyl)-1-oxobut-2-enyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[(E)-3-(4-bromo-3-chlorophenyl)but-2-enoyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[(E)-3-(4-bromo-3-chloro-phenyl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Formula: C19H17BrClNO5 MolecularWeight: 454.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)C2=CC(=C(C=C2)Br)Cl

Isomeric SMILES

C/C(=C\C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)/C2=CC(=C(C=C2)Br)Cl

InChI

InChI=1S/C19H17BrClNO5/c1-10(11-4-5-13(20)14(21)7-11)6-18(23)22-15-9-17(27-3)16(26-2)8-12(15)19(24)25/h4-9H,1-3H3,(H,22,23)(H,24,25)/b10-6+