(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(aminocarbonylamino)benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(aminocarbonylamino)benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic 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 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC(=CC=C3)NC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC(=CC=C3)NC(=O)N)Cl)OC1

InChI

InChI=1S/C18H17ClN2O5/c19-14-7-11(8-15-16(14)25-6-2-5-24-15)10-26-17(22)12-3-1-4-13(9-12)21-18(20)23/h1,3-4,7-9H,2,5-6,10H2,(H3,20,21,23)