(2-oxidanylidene-2-phenylazanyl-ethyl) 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C18H18BrNO6 MolecularWeight: 424.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)Br)OC)OC

InChI

InChI=1S/C18H18BrNO6/c1-23-13-9-12(15(19)17(25-3)16(13)24-2)18(22)26-10-14(21)20-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,20,21)