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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(2-bromoanilino)-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-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-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-(2-bromoanilino)-2-keto-ethyl] ester Formula: C18H15BrClNO5 MolecularWeight: 440.6724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)Cl)OC1

InChI

InChI=1S/C18H15BrClNO5/c19-12-4-1-2-5-14(12)21-16(22)10-26-18(23)11-8-13(20)17-15(9-11)24-6-3-7-25-17/h1-2,4-5,8-9H,3,6-7,10H2,(H,21,22)