4-(5-azanylbenzotriazol-2-yl)benzoate

Systemtic Name: 4-(5-azanylbenzotriazol-2-yl)benzoate Openeye Name: 4-(5-aminobenzotriazol-2-yl)benzoate CAS Name: 4-(5-amino-2-benzotriazolyl)benzoate IUPAC Name: 4-(5-aminobenzotriazol-2-yl)benzoate Traditional Name: 4-(5-aminobenzotriazol-2-yl)benzoate Formula: C13H9N4O2- MolecularWeight: 253.23616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2N=C3C=CC(=CC3=N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2N=C3C=CC(=CC3=N2)N

InChI

InChI=1S/C13H10N4O2/c14-9-3-6-11-12(7-9)16-17(15-11)10-4-1-8(2-5-10)13(18)19/h1-7H,14H2,(H,18,19)/p-1