[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H18ClNO7 MolecularWeight: 407.80172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3)OC

InChI

InChI=1S/C19H18ClNO7/c1-24-13-7-12(8-14(9-13)25-2)21-17(22)10-28-19(23)11-5-15(20)18-16(6-11)26-3-4-27-18/h5-9H,3-4,10H2,1-2H3,(H,21,22)