2-azanyl-4,4-dibutoxy-6-(4-chloranyl-3-nitro-phenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(4-chloranyl-3-nitro-phenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(4-chloro-3-nitro-phenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-(4-chloro-3-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(4-chloro-3-nitrophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-(4-chloro-3-nitro-phenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N)OCCCC

InChI

InChI=1S/C21H24ClN5O4/c1-3-5-9-30-21(31-10-6-4-2)20(13-24)17(19(20,12-23)18(25)26-21)14-7-8-15(22)16(11-14)27(28)29/h7-8,11,17H,3-6,9-10H2,1-2H3,(H2,25,26)