3,4-dimethoxy-7-nitro-bicyclo[4.1.0]hepta-1,3,5-triene hydrate

Systemtic Name: 3,4-dimethoxy-7-nitro-bicyclo[4.1.0]hepta-1,3,5-triene hydrate Openeye Name: 3,4-dimethoxy-7-nitro-bicyclo[4.1.0]hepta-1,3,5-triene hydrate CAS Name: 3,4-dimethoxy-7-nitrobicyclo[4.1.0]hepta-1,3,5-triene hydrate IUPAC Name: 3,4-dimethoxy-7-nitrobicyclo[4.1.0]hepta-1,3,5-triene hydrate Traditional Name: 3,4-dimethoxy-7-nitro-bicyclo[4.1.0]hepta-1,3,5-triene hydrate Formula: C9H11NO5 MolecularWeight: 213.18734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(C2=C1)[N+](=O)[O-])OC.O

Isomeric SMILES

COC1=C(C=C2C(C2=C1)[N+](=O)[O-])OC.O

InChI

InChI=1S/C9H9NO4.H2O/c1-13-7-3-5-6(4-8(7)14-2)9(5)10(11)12;/h3-4,9H,1-2H3;1H2