IUPAC: methyl 4-(2-methylphenyl)-5-[3-[(3-nitrophenyl)methoxy]phenyl]-5-oxopentanoate

SMILES: COC(=O)CCC(C(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C

Canonical SMILES: CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-]

分子式: C26H25NO6

分子量: 447.50

InChIKey: XZQNGFOIXMUKSF-UHFFFAOYSA-N

InChI:

InChI=1S/C26H25NO6/c1-18-7-3-4-12-23(18)24(13-14-25(28)32-2)26(29)20-9-6-11-22(16-20)33-17-19-8-5-10-21(15-19)27(30)31/h3-12,15-16,24H,13-14,17H2,1-2H3

PubChem CID: 23204250 →

同義語

SCHEMBL8546377XZQNGFOIXMUKSF-UHFFFAOYSA-Nmethyl (RS)-5-[3-(3-nitro-benzyloxy)phenyl]-5-oxo-4-(2-methylphenyl)pentanoate

拡張検索

部分構造検索→類似構造検索→