methyl 2-[5-(cyano-oxidanyl-phenyl-methyl)-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(cyano-oxidanyl-phenyl-methyl)-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-(cyano-hydroxy-phenyl-methyl)-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[5-(cyano-hydroxy-phenylmethyl)-1-methyl-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(cyano-hydroxy-phenylmethyl)-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[5-(cyano-hydroxy-phenyl-methyl)-1-methyl-pyrrol-2-yl]acetic acid methyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(C#N)(C2=CC=CC=C2)O)CC(=O)OC

Isomeric SMILES

CN1C(=CC=C1C(C#N)(C2=CC=CC=C2)O)CC(=O)OC

InChI

InChI=1S/C16H16N2O3/c1-18-13(10-15(19)21-2)8-9-14(18)16(20,11-17)12-6-4-3-5-7-12/h3-9,20H,10H2,1-2H3