6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6-nitro-2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)[N+](=O)[O-])CC3=NC=NN3

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)[N+](=O)[O-])CC3=NC=NN3

InChI

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