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

Systemtic Name: 5-butanoyl-4-methyl-2,3-bis(oxidanylidene)-1-prop-2-enyl-indol-1-ium-1-carboxylic acid Openeye Name: 1-allyl-5-butanoyl-4-methyl-2,3-dioxo-indolin-1-ium-1-carboxylic acid CAS Name: 4-methyl-2,3-dioxo-5-(1-oxobutyl)-1-prop-2-enyl-1-indol-1-iumcarboxylic acid IUPAC Name: 5-butanoyl-4-methyl-2,3-dioxo-1-prop-2-enylindol-1-ium-1-carboxylic acid Traditional Name: 1-allyl-5-butyryl-2,3-diketo-4-methyl-indolin-1-ium-1-carboxylic acid Formula: C17H18NO5+ MolecularWeight: 316.32852

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-4-6-13(19)11-7-8-12-14(10(11)3)15(20)16(21)18(12,9-5-2)17(22)23/h5,7-8H,2,4,6,9H2,1,3H3/p+1