ethyl 4-cyano-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-cyano-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-cyano-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-cyano-2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 4-cyano-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2/c1-4-20-16(19)15-12(3)18(11(2)14(15)10-17)13-8-6-5-7-9-13/h5-9H,4H2,1-3H3