[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C)C)Br

InChI

InChI=1S/C13H16BrNO3/c1-8(2)13(17)18-7-12(16)15-10-5-4-9(3)11(14)6-10/h4-6,8H,7H2,1-3H3,(H,15,16)