4-[5-methyl-1-(4-nitrophenyl)-1,2,3,4-tetrazol-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[5-methyl-1-(4-nitrophenyl)-1,2,3,4-tetrazol-1-ium-1-yl]butanoic acid Openeye Name: 4-[5-methyl-1-(4-nitrophenyl)tetrazol-1-ium-1-yl]butanoic acid CAS Name: 4-[5-methyl-1-(4-nitrophenyl)-1-tetrazol-1-iumyl]butanoic acid IUPAC Name: 4-[5-methyl-1-(4-nitrophenyl)tetrazol-1-ium-1-yl]butanoic acid Traditional Name: 4-[5-methyl-1-(4-nitrophenyl)tetrazol-1-ium-1-yl]butyric acid Formula: C12H14N5O4+ MolecularWeight: 292.27066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=N[N+]1(CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=N[N+]1(CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-9-13-14-15-17(9,8-2-3-12(18)19)11-6-4-10(5-7-11)16(20)21/h4-7H,2-3,8H2,1H3/p+1