methyl 2-[[(E)-3-(3-bromanyl-4-chloranyl-phenyl)but-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-4-chloranyl-phenyl)but-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(3-bromo-4-chloro-phenyl)but-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(3-bromo-4-chlorophenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-4-chlorophenyl)but-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(3-bromo-4-chloro-phenyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C18H15BrClNO3 MolecularWeight: 408.6736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClNO3/c1-11(12-7-8-15(20)14(19)10-12)9-17(22)21-16-6-4-3-5-13(16)18(23)24-2/h3-10H,1-2H3,(H,21,22)/b11-9+