[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C17H16BrNO5/c1-22-14-7-6-13(9-15(14)23-2)19-16(20)10-24-17(21)11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3,(H,19,20)