6-nitro-1-(1,2,3-triazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6-nitro-1-(1,2,3-triazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6-nitro-1-(triazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6-nitro-1-(1-triazolylmethyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6-nitro-1-(triazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6-nitro-1-(triazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C=C(C=C2)[N+](=O)[O-])CN3C=CN=N3

Isomeric SMILES

C1CNC(C2=C1C=C(C=C2)[N+](=O)[O-])CN3C=CN=N3

InChI

InChI=1S/C12H13N5O2/c18-17(19)10-1-2-11-9(7-10)3-4-13-12(11)8-16-6-5-14-15-16/h1-2,5-7,12-13H,3-4,8H2