methyl 3-(acetyloxymethyl)-5-(2-cyanopyrrol-1-yl)benzoate

Systemtic Name: methyl 3-(acetyloxymethyl)-5-(2-cyanopyrrol-1-yl)benzoate Openeye Name: methyl 3-(acetoxymethyl)-5-(2-cyanopyrrol-1-yl)benzoate CAS Name: 3-(acetyloxymethyl)-5-(2-cyano-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(acetyloxymethyl)-5-(2-cyanopyrrol-1-yl)benzoate Traditional Name: 3-(acetoxymethyl)-5-(2-cyanopyrrol-1-yl)benzoic acid methyl ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=CC(=C1)C(=O)OC)N2C=CC=C2C#N

Isomeric SMILES

CC(=O)OCC1=CC(=CC(=C1)C(=O)OC)N2C=CC=C2C#N

InChI

InChI=1S/C16H14N2O4/c1-11(19)22-10-12-6-13(16(20)21-2)8-15(7-12)18-5-3-4-14(18)9-17/h3-8H,10H2,1-2H3