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

Systemtic Name: 2-[[(E)-3-(3-bromanyl-4-chloranyl-phenyl)but-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-bromo-4-chloro-phenyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-bromo-4-chlorophenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-bromo-4-chlorophenyl)but-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-bromo-4-chloro-phenyl)but-2-enoyl]amino]benzoic acid Formula: C17H13BrClNO3 MolecularWeight: 394.64702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClNO3/c1-10(11-6-7-14(19)13(18)9-11)8-16(21)20-15-5-3-2-4-12(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-8+