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CHEBI:39635 - 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID

Default Structure
ChEBI IDCHEBI:39635
ChEBI Name4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC28H18N4O11
Net Charge0
Average Mass586.469
Monoisotopic Mass586.09721
SMILES[H]OC(=O)c1c([H])c([H])c(Oc2c([H])c([H])c(N([H])C(=O)c3c([H])c([H])c([H])c([N+](=O)[O-])c3[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/C28H18N4O11/c33-25(15-3-1-5-18(11-15)31(39)40)29-17-7-10-24(43-20-8-9-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-4-2-6-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)
InChIKeyVFYAZSTYKPFSFL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID (CHEBI:39635) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDPDBeChem
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195PDBeChem