2-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]terephthalic acid CAS Name: 2-[[oxo-[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]terephthalic acid Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H11N5O5/c22-14(9-3-1-8(2-4-9)13-18-20-21-19-13)17-12-7-10(15(23)24)5-6-11(12)16(25)26/h1-7H,(H,17,22)(H,23,24)(H,25,26)(H,18,19,20,21)