Chemical Component Summary

Name5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile
Identifiers3-azanyl-5-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1~{H}-pyrazole-4-carbonitrile
FormulaC14 H11 N5 O2
Molecular Weight281.269
TypeNON-POLYMER
Isomeric SMILESCOc1cc(ccc1O)/C=C(\C#N)/c2c(c(n[nH]2)N)C#N
InChIInChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+
InChIKeyWCAKSXQRFBVWDG-RUDMXATFSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 135446783