[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C18H18BrNO5/c1-11-4-6-13(7-5-11)20-16(21)10-25-18(22)12-8-14(23-2)17(19)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,20,21)