2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE (CHEBI:47181)

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CHEBI:47181 - 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE

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ChEBI ID	CHEBI:47181
ChEBI Name	2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C14H12ClN3O3
Net Charge	0
Average Mass	305.721
Monoisotopic Mass	305.05672
SMILES	[H]O[C@]1([H])C([H])([H])C([H])([H])N2C(=O)N(c3c([H])c([H])c(C#N)c(Cl)c3C([H])([H])[H])C(=O)[C@@]21[H]
InChI	InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1
InChIKey	KEJORAMIZFOODM-PWSUYJOCSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE (CHEBI:47181) is a unclassifieds (CHEBI:27189)

Synonyms	Source
2-chloro-4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-3-methylbenzonitrile	PDBeChem
2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE	PDBeChem

Manual Xrefs	Databases
8NH	PDBeChem