[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-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 [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 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 [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C14H15ClN2O6 MolecularWeight: 342.7317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C14H15ClN2O6/c1-7(12(18)17-14(16)20)23-13(19)8-5-9(15)11-10(6-8)21-3-2-4-22-11/h5-7H,2-4H2,1H3,(H3,16,17,18,20)/t7-/m1/s1