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

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C14H16BrNO4 MolecularWeight: 342.18514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-9-3-5-11(7-12(9)15)16-13(18)8-20-14(19)6-4-10(2)17/h3,5,7H,4,6,8H2,1-2H3,(H,16,18)