1-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]urea

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]urea Openeye Name: [(6-hydroxy-1,3-benzodioxol-5-yl)-(4-hydroxy-3,5-dimethoxy-phenyl)methyl]urea CAS Name: [(6-hydroxy-1,3-benzodioxol-5-yl)-(4-hydroxy-3,5-dimethoxyphenyl)methyl]urea IUPAC Name: [(6-hydroxy-1,3-benzodioxol-5-yl)-(4-hydroxy-3,5-dimethoxyphenyl)methyl]urea Traditional Name: [(6-hydroxy-1,3-benzodioxol-5-yl)-(4-hydroxy-3,5-dimethoxy-phenyl)methyl]urea Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(C2=CC3=C(C=C2O)OCO3)NC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(C2=CC3=C(C=C2O)OCO3)NC(=O)N

InChI

InChI=1S/C17H18N2O7/c1-23-13-3-8(4-14(24-2)16(13)21)15(19-17(18)22)9-5-11-12(6-10(9)20)26-7-25-11/h3-6,15,20-21H,7H2,1-2H3,(H3,18,19,22)