2-methyl-1-methylidene-5-nitro-6-oxidanylidene-4-propan-2-ylsulfanyl-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 2-methyl-1-methylidene-5-nitro-6-oxidanylidene-4-propan-2-ylsulfanyl-pyridin-1-ium-3-carboxylic acid Openeye Name: 4-isopropylsulfanyl-2-methyl-1-methylene-5-nitro-6-oxo-pyridin-1-ium-3-carboxylic acid CAS Name: 2-methyl-1-methylene-5-nitro-6-oxo-4-(propan-2-ylthio)-3-pyridin-1-iumcarboxylic acid IUPAC Name: 2-methyl-1-methylidene-5-nitro-6-oxo-4-propan-2-ylsulfanylpyridin-1-ium-3-carboxylic acid Traditional Name: 4-(isopropylthio)-6-keto-2-methyl-1-methylene-5-nitro-pyridin-1-ium-3-carboxylic acid Formula: C11H13N2O5S+ MolecularWeight: 285.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)[N+]1=C)[N+](=O)[O-])SC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=O)[N+]1=C)[N+](=O)[O-])SC(C)C)C(=O)O

InChI

InChI=1S/C11H12N2O5S/c1-5(2)19-9-7(11(15)16)6(3)12(4)10(14)8(9)13(17)18/h5H,4H2,1-3H3/p+1