7-(2,4-dinitrophenyl)sulfanyl-7-azabicyclo[4.1.0]heptane

Systemtic Name: 7-(2,4-dinitrophenyl)sulfanyl-7-azabicyclo[4.1.0]heptane Openeye Name: 7-(2,4-dinitrophenyl)sulfanyl-7-azabicyclo[4.1.0]heptane CAS Name: 7-[(2,4-dinitrophenyl)thio]-7-azabicyclo[4.1.0]heptane IUPAC Name: 7-(2,4-dinitrophenyl)sulfanyl-7-azabicyclo[4.1.0]heptane Traditional Name: 7-[(2,4-dinitrophenyl)thio]-7-azabicyclo[4.1.0]heptane Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)N2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c16-14(17)8-5-6-12(11(7-8)15(18)19)20-13-9-3-1-2-4-10(9)13/h5-7,9-10H,1-4H2