tert-butyl N-[(4-bromophenyl)-(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(4-bromophenyl)-(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-bromophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]carbamate CAS Name: N-[(4-bromophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-bromophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]carbamate Traditional Name: N-[(4-bromophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]carbamic acid tert-butyl ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Br)C2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Br)C2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C19H20BrNO5/c1-19(2,3)26-18(23)21-17(11-4-6-12(20)7-5-11)13-8-15-16(9-14(13)22)25-10-24-15/h4-9,17,22H,10H2,1-3H3,(H,21,23)