4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(4-bromo-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoate IUPAC Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-4-keto-butyrate Formula: C11H11BrNO3- MolecularWeight: 285.11394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H12BrNO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)/p-1