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GOJ : Summary

Code

GOJ

One-letter code

X

Molecule name

ethyl 1~{H}-pyrazole-4-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ethyl 1~{H}-pyrazole-4-carboxylate

Formula

C6 H8 N2 O2

Formal charge

0

Molecular weight

140.14 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCOC(=O)c1c[nH]nc1
SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)c1c[nH]nc1
Canonical SMILES CACTVS 3.385 CCOC(=O)c1c[nH]nc1
Canonical SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)c1c[nH]nc1

IUPAC InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)

IUPAC InChI key

KACZQOKEFKFNDB-UHFFFAOYSA-N
GOJ

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-31

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned