2-[5-(4-methyl-3-nitro-phenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methyl-3-nitro-phenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-methyl-3-nitro-phenyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-(4-methyl-3-nitrophenyl)-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(4-methyl-3-nitrophenyl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-(4-methyl-3-nitro-phenyl)tetrazol-1-yl]acetic acid Formula: C10H9N5O4 MolecularWeight: 263.20956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=NN2CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=NN2CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O4/c1-6-2-3-7(4-8(6)15(18)19)10-11-12-13-14(10)5-9(16)17/h2-4H,5H2,1H3,(H,16,17)