ethyl 3-cyano-2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: ethyl 3-cyano-2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: ethyl 3-cyano-2-[(E)-N-(methoxycarbonylamino)-C-methyl-carbonimidoyl]-4-oxo-3-phenyl-pentanoate CAS Name: 3-cyano-2-[(1E)-1-(methoxycarbonylhydrazinylidene)ethyl]-4-oxo-3-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-4-oxo-3-phenylpentanoate Traditional Name: 2-[(E)-N-(carbomethoxyamino)-C-methyl-carbonimidoyl]-3-cyano-4-keto-3-phenyl-valeric acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=NNC(=O)OC)C)C(C#N)(C1=CC=CC=C1)C(=O)C

Isomeric SMILES

CCOC(=O)C(/C(=N/NC(=O)OC)/C)C(C#N)(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C18H21N3O5/c1-5-26-16(23)15(12(2)20-21-17(24)25-4)18(11-19,13(3)22)14-9-7-6-8-10-14/h6-10,15H,5H2,1-4H3,(H,21,24)/b20-12+