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

Systemtic Name: (1S,5R,6S)-2-azanyl-4,4-diethoxy-6-(4-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(4-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(4-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(4-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(4-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)OCC

Isomeric SMILES

CCOC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=CC=C(C=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)11-5-7-12(8-6-11)22(23)24/h5-8,13H,3-4H2,1-2H3,(H2,20,21)/t13-,15+,16+/m0/s1