ethyl 5-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(3-anilino-2-cyano-3-oxo-propanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylate CAS Name: 5-(3-anilino-2-cyano-1,3-dioxopropyl)-1,2,4-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-anilino-2-cyano-3-oxopropanoyl)-1,2,4-trimethylpyrrole-3-carboxylate Traditional Name: 5-(3-anilino-2-cyano-3-keto-propanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C(=O)C(C#N)C(=O)NC2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C(=O)C(C#N)C(=O)NC2=CC=CC=C2)C)C

InChI

InChI=1S/C20H21N3O4/c1-5-27-20(26)16-12(2)17(23(4)13(16)3)18(24)15(11-21)19(25)22-14-9-7-6-8-10-14/h6-10,15H,5H2,1-4H3,(H,22,25)