[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C18H18BrNO6 MolecularWeight: 424.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)OC)OC

InChI

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