2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromanyl-phenol

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromanyl-phenol Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromo-phenol CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromophenol IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromophenol Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-4-bromo-phenol Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C14H12BrNO3/c15-10-1-3-12(17)9(5-10)7-16-11-2-4-13-14(6-11)19-8-18-13/h1-6,16-17H,7-8H2