ethyl 4-(5-cyano-2,3-dimethyl-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(5-cyano-2,3-dimethyl-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-(5-cyano-2,3-dimethyl-pyrrol-1-yl)benzoate CAS Name: 4-(5-cyano-2,3-dimethyl-1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-2,3-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(5-cyano-2,3-dimethyl-pyrrol-1-yl)benzoic acid ethyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C=C2C#N)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C=C2C#N)C)C

InChI

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