ethyl (5E)-5-(aminocarbonylhydrazinylidene)-3,5-bis(4-chlorophenyl)-2-cyano-pentanoate

Systemtic Name: ethyl (5E)-5-(aminocarbonylhydrazinylidene)-3,5-bis(4-chlorophenyl)-2-cyano-pentanoate Openeye Name: ethyl (5E)-5-(carbamoylhydrazono)-3,5-bis(4-chlorophenyl)-2-cyano-pentanoate CAS Name: (5E)-5-(carbamoylhydrazinylidene)-3,5-bis(4-chlorophenyl)-2-cyanopentanoic acid ethyl ester IUPAC Name: ethyl (5E)-5-(carbamoylhydrazinylidene)-3,5-bis(4-chlorophenyl)-2-cyanopentanoate Traditional Name: (5E)-3,5-bis(4-chlorophenyl)-2-cyano-5-semicarbazono-valeric acid ethyl ester Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC(=NNC(=O)N)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C(C#N)C(C/C(=N\NC(=O)N)/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H20Cl2N4O3/c1-2-30-20(28)18(12-24)17(13-3-7-15(22)8-4-13)11-19(26-27-21(25)29)14-5-9-16(23)10-6-14/h3-10,17-18H,2,11H2,1H3,(H3,25,27,29)/b26-19+