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CHEBI:39629 - 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID

Default Structure
ChEBI IDCHEBI:39629
ChEBI Name4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC21H14N2O8
Net Charge0
Average Mass422.349
Monoisotopic Mass422.07502
SMILES[H]OC(=O)c1c([H])c([H])c(Oc2c([H])c([H])c([H])c([H])c2N([H])C(=O)c2c([H])c([H])c([H])c([N+](=O)[O-])c2[H])c([H])c1C(=O)O[H]
InChIInChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)
InChIKeyNAQUAVBNIYTIIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID (CHEBI:39629) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDPDBeChem
Manual XrefsDatabases
194PDBeChem