CHEBI:105412 - acetic acid [1-[(3-nitrophenyl)-(1-oxopentylamino)methyl]-2-naphthalenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetic acid [1-[(3-nitrophenyl)-(1-oxopentylamino)methyl]-2-naphthalenyl] ester
ChEBI ID CHEBI:105412
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H24N2O5
Net Charge 0
Average Mass 420.459
Monoisotopic Mass 420.16852
InChI InChI=1S/C24H24N2O5/c1-3-4-12-22(28)25-24(18-9-7-10-19(15-18)26(29)30)23-20-11-6-5-8-17(20)13-14-21(23)31-16(2)27/h5-11,13-15,24H,3-4,12H2,1-2H3,(H,25,28)
InChIKey FPXPKGRYWPJFTD-UHFFFAOYSA-N
SMILES CCCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C
ChEBI Ontology
Outgoing acetic acid [1-[(3-nitrophenyl)-(1-oxopentylamino)methyl]-2-naphthalenyl] ester (CHEBI:105412) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-16775 LINCS
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