5-methoxycarbonyl-2,3-bis(oxidanylidene)-1-prop-2-ynyl-indol-1-ium-1-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-2,3-bis(oxidanylidene)-1-prop-2-ynyl-indol-1-ium-1-carboxylic acid Openeye Name: 5-methoxycarbonyl-2,3-dioxo-1-prop-2-ynyl-indolin-1-ium-1-carboxylic acid CAS Name: 5-methoxycarbonyl-2,3-dioxo-1-prop-2-ynyl-1-indol-1-iumcarboxylic acid IUPAC Name: 5-methoxycarbonyl-2,3-dioxo-1-prop-2-ynylindol-1-ium-1-carboxylic acid Traditional Name: 5-carbomethoxy-2,3-diketo-1-propargyl-indolin-1-ium-1-carboxylic acid Formula: C14H10NO6+ MolecularWeight: 288.2323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9NO6/c1-3-6-15(14(19)20)10-5-4-8(13(18)21-2)7-9(10)11(16)12(15)17/h1,4-5,7H,6H2,2H3/p+1