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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H19ClN2O6/c1-12(24)22-14-3-5-15(6-4-14)23-18(25)11-29-20(26)13-9-16(21)19-17(10-13)27-7-2-8-28-19/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,24)(H,23,25)