(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H17BrClNO5 MolecularWeight: 454.69898

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C3=CC=C(C=C3)Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)C3=CC=C(C=C3)Br)Cl)OC1

InChI

InChI=1S/C19H17BrClNO5/c20-14-4-2-13(3-5-14)19(24)22-10-17(23)27-11-12-8-15(21)18-16(9-12)25-6-1-7-26-18/h2-5,8-9H,1,6-7,10-11H2,(H,22,24)