ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diamine

Systemtic Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diamine Openeye Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diamine CAS Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diamine IUPAC Name: ethanol; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2,3-diamine Traditional Name: (3-amino-7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)amine; ethanol Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC2=C(C(=C1O2)N)N

Isomeric SMILES

CCO.C1=CC2=C(C(=C1O2)N)N

InChI

InChI=1S/C6H6N2O.C2H6O/c7-5-3-1-2-4(9-3)6(5)8;1-2-3/h1-2H,7-8H2;3H,2H2,1H3