CHEBI:105834 - 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester

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ChEBI Name 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester
ChEBI ID CHEBI:105834
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H13NO6
Net Charge 0
Average Mass 303.267
Monoisotopic Mass 303.07429
InChI InChI=1S/C15H13NO6/c1-9-6-13(17)22-10(2)14(9)15(18)21-8-11-4-3-5-12(7-11)16(19)20/h3-7H,8H2,1-2H3
InChIKey MOAHRJZJGJYJFO-UHFFFAOYSA-N
SMILES CC1=CC(=O)OC(=C1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C
ChEBI Ontology
Outgoing 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester (CHEBI:105834) has functional parent benzyl alcohol (CHEBI:17987)
2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester (CHEBI:105834) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-17195 LINCS
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