ethyl (2E,4Z)-3-azanyl-2-cyano-5-phenyl-4-(phenylcarbamoyl)penta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-3-azanyl-2-cyano-5-phenyl-4-(phenylcarbamoyl)penta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-3-amino-2-cyano-5-phenyl-4-(phenylcarbamoyl)penta-2,4-dienoate CAS Name: (2E,4Z)-3-amino-4-[anilino(oxo)methyl]-2-cyano-5-phenylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-3-amino-2-cyano-5-phenyl-4-(phenylcarbamoyl)penta-2,4-dienoate Traditional Name: (2E,4Z)-3-amino-2-cyano-5-phenyl-4-(phenylcarbamoyl)penta-2,4-dienoic acid ethyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C(=C\C1=CC=CC=C1)\C(=O)NC2=CC=CC=C2)/N)/C#N

InChI

InChI=1S/C21H19N3O3/c1-2-27-21(26)18(14-22)19(23)17(13-15-9-5-3-6-10-15)20(25)24-16-11-7-4-8-12-16/h3-13H,2,23H2,1H3,(H,24,25)/b17-13-,19-18+