3-nitro-1-pyridin-3-yl-2,5-dihydro-1,2,4-benzotriazepine

Systemtic Name: 3-nitro-1-pyridin-3-yl-2,5-dihydro-1,2,4-benzotriazepine Openeye Name: 3-nitro-1-(3-pyridyl)-2,5-dihydro-1,2,4-benzotriazepine CAS Name: 3-nitro-1-(3-pyridinyl)-2,5-dihydro-1,2,4-benzotriazepine IUPAC Name: 3-nitro-1-pyridin-3-yl-2,5-dihydro-1,2,4-benzotriazepine Traditional Name: 3-nitro-1-(3-pyridyl)-2,5-dihydro-1,2,4-benzotriazepine Formula: C13H11N5O2 MolecularWeight: 269.25874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(NC(=N1)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2N(NC(=N1)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C13H11N5O2/c19-18(20)13-15-8-10-4-1-2-6-12(10)17(16-13)11-5-3-7-14-9-11/h1-7,9H,8H2,(H,15,16)