ethyl 3-[(3S)-5-azanylidene-4,4,6-tricyano-3-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-cyclohexen-1-yl]propanoate

Systemtic Name: ethyl 3-[(3S)-5-azanylidene-4,4,6-tricyano-3-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-cyclohexen-1-yl]propanoate Openeye Name: ethyl 3-[(3S)-4,4,6-tricyano-3-(3-ethoxy-3-oxo-propyl)-5-imino-3-methyl-cyclohexen-1-yl]propanoate CAS Name: 3-[(3S)-4,4,6-tricyano-3-(3-ethoxy-3-oxopropyl)-5-imino-3-methyl-1-cyclohexenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-4,4,6-tricyano-3-(3-ethoxy-3-oxopropyl)-5-imino-3-methylcyclohexen-1-yl]propanoate Traditional Name: 3-[(3S)-4,4,6-tricyano-3-(3-ethoxy-3-keto-propyl)-5-imino-3-methyl-cyclohexen-1-yl]propionic acid ethyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(C(C(=N)C1C#N)(C#N)C#N)(C)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=C[C@](C(C(=N)C1C#N)(C#N)C#N)(C)CCC(=O)OCC

InChI

InChI=1S/C20H24N4O4/c1-4-27-16(25)7-6-14-10-19(3,9-8-17(26)28-5-2)20(12-22,13-23)18(24)15(14)11-21/h10,15,24H,4-9H2,1-3H3/t15?,19-/m0/s1