2-[2-(benzotriazol-1-yl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]terephthalic acid Formula: C16H12N4O5 MolecularWeight: 340.29028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N4O5/c21-14(8-20-13-4-2-1-3-11(13)18-19-20)17-12-7-9(15(22)23)5-6-10(12)16(24)25/h1-7H,8H2,(H,17,21)(H,22,23)(H,24,25)