[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H18BrNO5/c1-12(18(22)21-15-6-4-14(20)5-7-15)26-19(23)13-3-8-16-17(11-13)25-10-2-9-24-16/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)