2-methyl-2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]propanoate

Systemtic Name: 2-methyl-2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: 2-methyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]propanoate CAS Name: 2-methyl-2-[5-(4-nitrophenyl)-2-tetrazolyl]propanoate IUPAC Name: 2-methyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]propanoate Traditional Name: 2-methyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]propionate Formula: C11H10N5O4- MolecularWeight: 276.2282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O4/c1-11(2,10(17)18)16-13-9(12-14-16)7-3-5-8(6-4-7)15(19)20/h3-6H,1-2H3,(H,17,18)/p-1