ethyl (5E)-2-methyl-5-(nitrosomethylidene)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl (5E)-2-methyl-5-(nitrosomethylidene)-1H-pyrazole-4-carboxylate Openeye Name: ethyl (5E)-2-methyl-5-(nitrosomethylene)-1H-pyrazole-4-carboxylate CAS Name: (5E)-2-methyl-5-(nitrosomethylidene)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-5-(nitrosomethylidene)-1H-pyrazole-4-carboxylate Traditional Name: (3E)-1-methyl-3-(nitrosomethylene)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C8H11N3O3 MolecularWeight: 197.19124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(NC1=CN=O)C

Isomeric SMILES

CCOC(=O)C\1=CN(N/C1=C/N=O)C

InChI

InChI=1S/C8H11N3O3/c1-3-14-8(12)6-5-11(2)10-7(6)4-9-13/h4-5,10H,3H2,1-2H3/b7-4+