1-ethanoyl-5-(2-oxidanylidenepropyl)-3H-indole-2,2-dicarboxylic acid

Systemtic Name: 1-ethanoyl-5-(2-oxidanylidenepropyl)-3H-indole-2,2-dicarboxylic acid Openeye Name: 5-acetonyl-1-acetyl-indoline-2,2-dicarboxylic acid CAS Name: 1-acetyl-5-(2-oxopropyl)-3H-indole-2,2-dicarboxylic acid IUPAC Name: 1-acetyl-5-(2-oxopropyl)-3H-indole-2,2-dicarboxylic acid Traditional Name: 5-acetonyl-1-acetyl-indoline-2,2-dicarboxylic acid Formula: C15H15NO6 MolecularWeight: 305.2827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6/c1-8(17)5-10-3-4-12-11(6-10)7-15(13(19)20,14(21)22)16(12)9(2)18/h3-4,6H,5,7H2,1-2H3,(H,19,20)(H,21,22)