1-cyanoethyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C#N

InChI

InChI=1S/C16H16N2O2/c1-11-9-15(16(19)20-12(2)10-17)13(3)18(11)14-7-5-4-6-8-14/h4-9,12H,1-3H3