2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]propanoic acid

Systemtic Name: 2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]propanoic acid Openeye Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]propanoic acid CAS Name: 2-[5-(4-nitrophenyl)-2-tetrazolyl]propanoic acid IUPAC Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]propanoic acid Traditional Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]propionic acid Formula: C10H9N5O4 MolecularWeight: 263.20956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4/c1-6(10(16)17)14-12-9(11-13-14)7-2-4-8(5-3-7)15(18)19/h2-6H,1H3,(H,16,17)