CHEBI:135206 - nicoclonate

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ChEBI Name nicoclonate ChEBI ID CHEBI:135206 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H16ClNO2 Net Charge 0 Average Mass 289.757 Monoisotopic Mass 289.08696 InChI InChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3 InChIKey XPPXHQUWVYMTDM-UHFFFAOYSA-N SMILES C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(C=C2)Cl ChEBI Ontology Outgoing nicoclonate (CHEBI:135206) has functional parent benzyl alcohol (CHEBI:17987) nicoclonate (CHEBI:135206) is a carboxylic ester (CHEBI:33308) Synonym Source nicoclonol DrugCentral Manual Xref Database 1913 DrugCentral View more database links Registry Number Type Source 10571-59-2 CAS Registry Number DrugCentral Last Modified 23 February 2017