CHEBI:106043 - 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile

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ChEBI Name 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile
ChEBI ID CHEBI:106043
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H18N2O4
Net Charge 0
Average Mass 326.347
Monoisotopic Mass 326.12666
InChI InChI=1S/C18H18N2O4/c1-14-12-17(8-9-18(14)20(21)22)24-11-3-2-10-23-16-6-4-15(13-19)5-7-16/h4-9,12H,2-3,10-11H2,1H3
InChIKey YAARDHUAQHWZFX-UHFFFAOYSA-N
SMILES CC1=C(C=CC(=C1)OCCCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]
ChEBI Ontology
Outgoing 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile (CHEBI:106043) is a C-nitro compound (CHEBI:35716)
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile (CHEBI:106043) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-17404 LINCS
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