CHEBI:117090 - 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester ChEBI ID CHEBI:117090 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H26N2O9S Net Charge 0 Average Mass 494.517 Monoisotopic Mass 494.13590 InChI InChI=1S/C22H26N2O9S/c1-6-32-22(27)19-13(7-12(2)3)11-34-20(19)23-18(25)10-33-21(26)14-8-16(30-4)17(31-5)9-15(14)24(28)29/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,25) InChIKey NOVKXHLIJDTQLK-UHFFFAOYSA-N SMILES CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester (CHEBI:117090) is a nitrobenzoic acid (CHEBI:25553) Manual Xref Database LSM-28537 LINCS View more database links