dimethyl 5-pyrrol-1-ylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-pyrrol-1-ylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-pyrrol-1-ylbenzene-1,3-dicarboxylate CAS Name: 5-(1-pyrrolyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-pyrrol-1-ylbenzene-1,3-dicarboxylate Traditional Name: 5-pyrrol-1-ylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C14H13NO4/c1-18-13(16)10-7-11(14(17)19-2)9-12(8-10)15-5-3-4-6-15/h3-9H,1-2H3