ethyl 1-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(2-amino-1-cyano-2-oxo-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate CAS Name: 1-(2-amino-1-cyano-2-oxoethyl)-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-1-cyano-2-oxoethyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate Traditional Name: 1-(2-amino-1-cyano-2-keto-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=CC=C2)C)C(C#N)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=CC=C2)C)C(C#N)C(=O)N)C

InChI

InChI=1S/C18H19N3O3/c1-4-24-18(23)16-12(3)21(14(10-19)17(20)22)11(2)15(16)13-8-6-5-7-9-13/h5-9,14H,4H2,1-3H3,(H2,20,22)