(1S,5R,6R)-2-azanyl-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: (1S,5R,6R)-2-azanyl-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6R)-2-amino-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6R)-2-amino-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6R)-2-amino-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6R)-2-amino-4,4-diethoxy-6-(3-nitrophenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C17H18N5O4+ MolecularWeight: 356.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N)OCC

Isomeric SMILES

CCOC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N)OCC

InChI

InChI=1S/C17H17N5O4/c1-3-25-17(26-4-2)16(10-19)13(15(16,9-18)14(20)21-17)11-6-5-7-12(8-11)22(23)24/h5-8,13H,3-4H2,1-2H3,(H2,20,21)/p+1/t13-,15-,16-/m1/s1