CHEBI:82026 - Nitrothal-isopropyl

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ChEBI Name Nitrothal-isopropyl ChEBI ID CHEBI:82026 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 C14H17NO6 Net Charge 0 Average Mass 295.28790 Monoisotopic Mass 295.10559 InChI InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3 InChIKey VJAWBEFMCIINFU-UHFFFAOYSA-N SMILES CC(C)OC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC(C)C 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 Nitrothal-isopropyl (CHEBI:82026) is a diester (CHEBI:51307) Nitrothal-isopropyl (CHEBI:82026) is a isopropyl ester (CHEBI:35725) Nitrothal-isopropyl (CHEBI:82026) is a nitrobenzoic acid (CHEBI:25553) Manual Xrefs Databases 1064 PPDB C18873 KEGG COMPOUND View more database links Registry Number Type Source 10552-74-6 CAS Registry Number KEGG COMPOUND Last Modified 09 March 2018