CHEBI:77894 - aci-nitroethane

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ChEBI Name aci-nitroethane
ChEBI ID CHEBI:77894
ChEBI ASCII Name aci-nitroethane
Definition An aci-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C2H5NO2
Net Charge 0
Average Mass 75.06660
Monoisotopic Mass 75.03203
InChI InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKey CPZLOQHKKRZRSD-UHFFFAOYSA-N
SMILES C\C=[N+](\O)[O-]
ChEBI Ontology
Outgoing aci-nitroethane (CHEBI:77894) is a aci-nitro compound (CHEBI:136622)
aci-nitroethane (CHEBI:77894) is conjugate acid of aci-nitroethane(1−) (CHEBI:55327)
aci-nitroethane (CHEBI:77894) is tautomer of nitroethane (CHEBI:16268)
Incoming aci-nitroethane(1−) (CHEBI:55327) is conjugate base of aci-nitroethane (CHEBI:77894)
nitroethane (CHEBI:16268) is tautomer of aci-nitroethane (CHEBI:77894)
IUPAC Name
ethylideneazinic acid
Synonyms Sources
ethylnitronate UniProt
ethylnitronate ylide ChEBI
Last Modified
22 March 2017