[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C18H18BrNO4/c1-11-4-5-13(10-16(11)23-3)18(22)24-12(2)17(21)20-15-8-6-14(19)7-9-15/h4-10,12H,1-3H3,(H,20,21)