3-(aziridin-1-ylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol

Systemtic Name: 3-(aziridin-1-ylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Openeye Name: 3-(aziridin-1-ylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol CAS Name: 3-(1-aziridinylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol IUPAC Name: 3-(aziridin-1-ylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Traditional Name: 3-(ethyleniminomethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC2(COC3=CC=CC=C3OC2)O

Isomeric SMILES

C1CN1CC2(COC3=CC=CC=C3OC2)O

InChI

InChI=1S/C12H15NO3/c14-12(7-13-5-6-13)8-15-10-3-1-2-4-11(10)16-9-12/h1-4,14H,5-9H2