methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[(E)-but-2-enoyl]amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[(E)-but-2-enoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[(E)-but-2-enoyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[(E)-1-oxobut-2-enyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[(E)-but-2-enoyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[(E)-but-2-enoyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(C1=C(C=CC(=C1C)Br)C)C(C)C(=O)OC

Isomeric SMILES

C/C=C/C(=O)N(C1=C(C=CC(=C1C)Br)C)C(C)C(=O)OC

InChI

InChI=1S/C16H20BrNO3/c1-6-7-14(19)18(12(4)16(20)21-5)15-10(2)8-9-13(17)11(15)3/h6-9,12H,1-5H3/b7-6+