[[1,3-benzodioxol-5-yl(oxidanyl)methyl]-methyl-amino] 4-nitrobenzenesulfonate

Systemtic Name: [[1,3-benzodioxol-5-yl(oxidanyl)methyl]-methyl-amino] 4-nitrobenzenesulfonate Openeye Name: [[1,3-benzodioxol-5-yl(hydroxy)methyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[1,3-benzodioxol-5-yl(hydroxy)methyl]-methylamino] ester IUPAC Name: [[1,3-benzodioxol-5-yl(hydroxy)methyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[1,3-benzodioxol-5-yl(hydroxy)methyl]-methyl-amino] ester Formula: C15H14N2O8S MolecularWeight: 382.34526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC2=C(C=C1)OCO2)O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C(C1=CC2=C(C=C1)OCO2)O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O8S/c1-16(15(18)10-2-7-13-14(8-10)24-9-23-13)25-26(21,22)12-5-3-11(4-6-12)17(19)20/h2-8,15,18H,9H2,1H3