cyclohexanecarboxylate; 1-methylpyrrole-2,5-dione

Systemtic Name: cyclohexanecarboxylate; 1-methylpyrrole-2,5-dione Openeye Name: cyclohexanecarboxylate; 1-methylpyrrole-2,5-dione CAS Name: cyclohexanecarboxylate; 1-methylpyrrole-2,5-dione IUPAC Name: cyclohexanecarboxylate; 1-methylpyrrole-2,5-dione Traditional Name: cyclohexanecarboxylate; 1-methyl-3-pyrroline-2,5-quinone Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC1=O.C1CCC(CC1)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C=CC1=O.C1CCC(CC1)C(=O)[O-]

InChI

InChI=1S/C7H12O2.C5H5NO2/c8-7(9)6-4-2-1-3-5-6;1-6-4(7)2-3-5(6)8/h6H,1-5H2,(H,8,9);2-3H,1H3/p-1