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

Systemtic Name: 5-pyrrol-1-ylbenzene-1,3-dicarboxylate Openeye Name: 5-pyrrol-1-ylbenzene-1,3-dicarboxylate CAS Name: 5-(1-pyrrolyl)benzene-1,3-dicarboxylate IUPAC Name: 5-pyrrol-1-ylbenzene-1,3-dicarboxylate Traditional Name: 5-pyrrol-1-ylisophthalate Formula: C12H7NO4-2 MolecularWeight: 229.18828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H9NO4/c14-11(15)8-5-9(12(16)17)7-10(6-8)13-3-1-2-4-13/h1-7H,(H,14,15)(H,16,17)/p-2