[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H18ClNO6/c1-24-15-6-3-2-5-14(15)21-17(22)11-27-19(23)12-9-13(20)18-16(10-12)25-7-4-8-26-18/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,21,22)