3-(4-nitrophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Systemtic Name: 3-(4-nitrophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Openeye Name: 3-(4-nitrophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one CAS Name: 3-(4-nitrophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one IUPAC Name: 3-(4-nitrophenyl)sulfonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Traditional Name: 3-nosyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)N(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S/c16-13-14(11-3-1-2-4-12(11)21-13)22(19,20)10-7-5-9(6-8-10)15(17)18/h5-8,11-12H,1-4H2