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

Systemtic Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxo-acetate CAS Name: 4-[2-(2,3-dimethyl-1-indolyl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester; 2-hydroxy-2-oxoacetate IUPAC Name: ethyl 4-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxoacetate Traditional Name: 4-[2-(2,3-dimethylindol-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester binoxalate Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H25N3O3.C2H2O4/c1-4-25-19(24)21-11-9-20(10-12-21)13-18(23)22-15(3)14(2)16-7-5-6-8-17(16)22;3-1(4)2(5)6/h5-8H,4,9-13H2,1-3H3;(H,3,4)(H,5,6)