4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine

Systemtic Name: 4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine Openeye Name: 4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine CAS Name: 4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine IUPAC Name: 4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine Traditional Name: 4-[3-(2-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)N=NN2C3=CC=CC=C3[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC2(C(C1)N=NN2C3=CC=CC=C3[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C16H21N5O3/c22-21(23)14-6-2-1-5-13(14)20-16(19-9-11-24-12-10-19)8-4-3-7-15(16)17-18-20/h1-2,5-6,15H,3-4,7-12H2