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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (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 [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-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-keto-2-ureido-ethyl) ester Formula: C13H13ClN2O6 MolecularWeight: 328.70512

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)N)Cl)OC1

InChI

InChI=1S/C13H13ClN2O6/c14-8-4-7(5-9-11(8)21-3-1-2-20-9)12(18)22-6-10(17)16-13(15)19/h4-5H,1-3,6H2,(H3,15,16,17,19)