2-[(4-pyrrol-1-ylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-pyrrol-1-ylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]terephthalic acid CAS Name: 2-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-pyrrol-1-ylbenzoyl)amino]terephthalic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H14N2O5/c22-17(12-3-6-14(7-4-12)21-9-1-2-10-21)20-16-11-13(18(23)24)5-8-15(16)19(25)26/h1-11H,(H,20,22)(H,23,24)(H,25,26)