3-[[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-(3-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-(3-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[2-(dicyclohexylamino)-2-oxo-ethyl]-(3-nitrobenzoyl)amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[2-(dicyclohexylamino)-2-oxoethyl]-[(3-nitrophenyl)-oxomethyl]amino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[2-(dicyclohexylamino)-2-oxoethyl]-(3-nitrobenzoyl)amino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[2-(dicyclohexylamino)-2-keto-ethyl]-(3-nitrobenzoyl)amino]propyl-diethyl-ammonium binoxalate Formula: C30H46N4O8 MolecularWeight: 590.70824

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C28H44N4O4.C2H2O4/c1-3-29(4-2)19-12-20-30(28(34)23-13-11-18-26(21-23)32(35)36)22-27(33)31(24-14-7-5-8-15-24)25-16-9-6-10-17-25;3-1(4)2(5)6/h11,13,18,21,24-25H,3-10,12,14-17,19-20,22H2,1-2H3;(H,3,4)(H,5,6)