[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C21H22BrNO8 MolecularWeight: 496.30528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C21H22BrNO8/c1-5-30-20(25)12-6-8-13(9-7-12)23-16(24)11-31-21(26)14-10-15(27-2)18(28-3)19(29-4)17(14)22/h6-10H,5,11H2,1-4H3,(H,23,24)