1-butyl-2,3-bis(oxidanylidene)indole-5-carboxylic acid

Systemtic Name: 1-butyl-2,3-bis(oxidanylidene)indole-5-carboxylic acid Openeye Name: 1-butyl-2,3-dioxo-indoline-5-carboxylic acid CAS Name: 1-butyl-2,3-dioxo-5-indolecarboxylic acid IUPAC Name: 1-butyl-2,3-dioxoindole-5-carboxylic acid Traditional Name: 1-butyl-2,3-diketo-indoline-5-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)O)C(=O)C1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)O)C(=O)C1=O

InChI

InChI=1S/C13H13NO4/c1-2-3-6-14-10-5-4-8(13(17)18)7-9(10)11(15)12(14)16/h4-5,7H,2-3,6H2,1H3,(H,17,18)