5-[(5-nitrobenzotriazol-1-yl)methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(5-nitrobenzotriazol-1-yl)methylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(5-nitrobenzotriazol-1-yl)methylamino]benzoic acid CAS Name: 2-hydroxy-5-[(5-nitro-1-benzotriazolyl)methylamino]benzoic acid IUPAC Name: 2-hydroxy-5-[(5-nitrobenzotriazol-1-yl)methylamino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-nitrobenzotriazol-1-yl)methylamino]benzoic acid Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2)C(=O)O)O

InChI

InChI=1S/C14H11N5O5/c20-13-4-1-8(5-10(13)14(21)22)15-7-18-12-3-2-9(19(23)24)6-11(12)16-17-18/h1-6,15,20H,7H2,(H,21,22)