ethyl 3-[5-azanyl-4,4,6-tricyano-3-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: ethyl 3-[5-azanyl-4,4,6-tricyano-3-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: ethyl 3-[5-amino-4,4,6-tricyano-3-(3-ethoxy-3-oxo-propyl)-3-methyl-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[5-amino-4,4,6-tricyano-3-(3-ethoxy-3-oxopropyl)-3-methyl-1-cyclohexa-1,5-dienyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-amino-4,4,6-tricyano-3-(3-ethoxy-3-oxopropyl)-3-methylcyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[5-amino-4,4,6-tricyano-3-(3-ethoxy-3-keto-propyl)-3-methyl-cyclohexa-1,5-dien-1-yl]propionic acid ethyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CCC1=CC(C(C(=C1C#N)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/h10H,4-9,24H2,1-3H3