4,5-dimethoxy-2-pyrrol-1-yl-benzoate

Systemtic Name: 4,5-dimethoxy-2-pyrrol-1-yl-benzoate Openeye Name: 4,5-dimethoxy-2-pyrrol-1-yl-benzoate CAS Name: 4,5-dimethoxy-2-(1-pyrrolyl)benzoate IUPAC Name: 4,5-dimethoxy-2-pyrrol-1-ylbenzoate Traditional Name: 4,5-dimethoxy-2-pyrrol-1-yl-benzoate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])N2C=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])N2C=CC=C2)OC

InChI

InChI=1S/C13H13NO4/c1-17-11-7-9(13(15)16)10(8-12(11)18-2)14-5-3-4-6-14/h3-8H,1-2H3,(H,15,16)/p-1