1-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid Openeye Name: 1-(1-cyano-2-methoxy-2-oxo-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid CAS Name: 1-(1-cyano-2-methoxy-2-oxoethyl)-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(1-cyano-2-methoxy-2-oxoethyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylic acid Traditional Name: 1-(1-cyano-2-keto-2-methoxy-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(C#N)C(=O)OC)C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(N1C(C#N)C(=O)OC)C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4/c1-10-14(12-7-5-4-6-8-12)15(16(20)21)11(2)19(10)13(9-18)17(22)23-3/h4-8,13H,1-3H3,(H,20,21)