5-(3-methyl-2-oxidanylidene-pyrazolidin-2-ium-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-methyl-2-oxidanylidene-pyrazolidin-2-ium-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-methyl-2-oxo-pyrazolidin-2-ium-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-methyl-2-oxo-1-pyrazolidin-2-iumyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-methyl-2-oxopyrazolidin-2-ium-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-keto-3-methyl-pyrazolidin-2-ium-1-yl)isophthalic acid Formula: C12H13N2O5+ MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN([N+]1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1CCN([N+]1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O5/c1-7-2-3-13(14(7)19)10-5-8(11(15)16)4-9(6-10)12(17)18/h4-7H,2-3H2,1H3,(H-,15,16,17,18)/p+1