methyl 4-(2-azanyl-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate Openeye Name: methyl 4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate CAS Name: 4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate Traditional Name: 4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoic acid methyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N)OCC

Isomeric SMILES

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N)OCC

InChI

InChI=1S/C19H20N4O4/c1-4-26-19(27-5-2)18(11-21)14(17(18,10-20)16(22)23-19)12-6-8-13(9-7-12)15(24)25-3/h6-9,14H,4-5H2,1-3H3,(H2,22,23)