4-methyl-4-[4-(4-nitro-2-oxidanyl-phenyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-2-one

Systemtic Name: 4-methyl-4-[4-(4-nitro-2-oxidanyl-phenyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-2-one Openeye Name: 4-[4-(2-hydroxy-4-nitro-phenyl)tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one CAS Name: 4-[4-(2-hydroxy-4-nitrophenyl)-1-tetrazol-1-iumyl]-4-methyl-2-pentanone IUPAC Name: 4-[4-(2-hydroxy-4-nitrophenyl)tetrazol-1-ium-1-yl]-4-methylpentan-2-one Traditional Name: 4-[4-(2-hydroxy-4-nitro-phenyl)tetrazol-1-ium-1-yl]-4-methyl-pentan-2-one Formula: C13H16N5O4+ MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H15N5O4/c1-9(19)7-13(2,3)17-8-16(14-15-17)11-5-4-10(18(21)22)6-12(11)20/h4-6,8H,7H2,1-3H3/p+1