5-butanoyl-1-ethyl-4-methyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid

Systemtic Name: 5-butanoyl-1-ethyl-4-methyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid Openeye Name: 5-butanoyl-1-ethyl-4-methyl-2,3-dioxo-indolin-1-ium-1-carboxylic acid CAS Name: 1-ethyl-4-methyl-2,3-dioxo-5-(1-oxobutyl)-1-indol-1-iumcarboxylic acid IUPAC Name: 5-butanoyl-1-ethyl-4-methyl-2,3-dioxoindol-1-ium-1-carboxylic acid Traditional Name: 5-butyryl-1-ethyl-2,3-diketo-4-methyl-indolin-1-ium-1-carboxylic acid Formula: C16H18NO5+ MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C=C1)[N+](C(=O)C2=O)(CC)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C=C1)[N+](C(=O)C2=O)(CC)C(=O)O)C

InChI

InChI=1S/C16H17NO5/c1-4-6-12(18)10-7-8-11-13(9(10)3)14(19)15(20)17(11,5-2)16(21)22/h7-8H,4-6H2,1-3H3/p+1