ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl 4-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxoacetate Traditional Name: 4-[2-keto-2-(2-methylindolin-1-yl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester binoxalate Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(CC3=CC=CC=C32)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(CC3=CC=CC=C32)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H25N3O3.C2H2O4/c1-3-24-18(23)20-10-8-19(9-11-20)13-17(22)21-14(2)12-15-6-4-5-7-16(15)21;3-1(4)2(5)6/h4-7,14H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)