CHEBI:105194 - acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester
ChEBI ID CHEBI:105194
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H13NO4
Net Charge 0
Average Mass 295.290
Monoisotopic Mass 295.08446
InChI InChI=1S/C17H13NO4/c1-10-5-3-4-6-13(10)16-18-15-9-12(21-11(2)19)7-8-14(15)17(20)22-16/h3-9H,1-2H3
InChIKey QEWGXGMQJNXGMV-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1C2=NC3=C(C=CC(=C3)OC(=O)C)C(=O)O2
ChEBI Ontology
Outgoing acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester (CHEBI:105194) is a benzoxazine (CHEBI:46969)
Manual Xref Database
LSM-16557 LINCS
View more database links