5-butyl-1-ethyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid

Systemtic Name: 5-butyl-1-ethyl-2,3-bis(oxidanylidene)indol-1-ium-1-carboxylic acid Openeye Name: 5-butyl-1-ethyl-2,3-dioxo-indolin-1-ium-1-carboxylic acid CAS Name: 5-butyl-1-ethyl-2,3-dioxo-1-indol-1-iumcarboxylic acid IUPAC Name: 5-butyl-1-ethyl-2,3-dioxoindol-1-ium-1-carboxylic acid Traditional Name: 5-butyl-1-ethyl-2,3-diketo-indolin-1-ium-1-carboxylic acid Formula: C15H18NO4+ MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)[N+](C(=O)C2=O)(CC)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)[N+](C(=O)C2=O)(CC)C(=O)O

InChI

InChI=1S/C15H17NO4/c1-3-5-6-10-7-8-12-11(9-10)13(17)14(18)16(12,4-2)15(19)20/h7-9H,3-6H2,1-2H3/p+1