2-methylpropanoate; 1-methylpyrrole-2,5-dione

Systemtic Name: 2-methylpropanoate; 1-methylpyrrole-2,5-dione Openeye Name: 2-methylpropanoate; 1-methylpyrrole-2,5-dione CAS Name: 2-methylpropanoate; 1-methylpyrrole-2,5-dione IUPAC Name: 2-methylpropanoate; 1-methylpyrrole-2,5-dione Traditional Name: 1-methyl-3-pyrroline-2,5-quinone isobutyrate Formula: C9H12NO4- MolecularWeight: 198.19588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5NO2.C4H8O2/c1-6-4(7)2-3-5(6)8;1-3(2)4(5)6/h2-3H,1H3;3H,1-2H3,(H,5,6)/p-1