3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole

Systemtic Name: 3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole Openeye Name: 3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole CAS Name: 3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole IUPAC Name: 3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole Traditional Name: 3-(chloromethyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC(=NO3)CCl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC(=NO3)CCl)OC1

InChI

InChI=1S/C13H12ClNO3/c14-8-10-7-12(18-15-10)9-2-3-11-13(6-9)17-5-1-4-16-11/h2-3,6-7H,1,4-5,8H2