5-(2-oxidanylidenepropyl)-1,3-dihydroindole-2,2-dicarboxylic acid

Systemtic Name: 5-(2-oxidanylidenepropyl)-1,3-dihydroindole-2,2-dicarboxylic acid Openeye Name: 5-acetonylindoline-2,2-dicarboxylic acid CAS Name: 5-(2-oxopropyl)-1,3-dihydroindole-2,2-dicarboxylic acid IUPAC Name: 5-(2-oxopropyl)-1,3-dihydroindole-2,2-dicarboxylic acid Traditional Name: 5-acetonylindoline-2,2-dicarboxylic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)NC(C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)NC(C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5/c1-7(15)4-8-2-3-10-9(5-8)6-13(14-10,11(16)17)12(18)19/h2-3,5,14H,4,6H2,1H3,(H,16,17)(H,18,19)