ethyl 3-(chloromethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(chloromethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(chloromethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate CAS Name: 3-(chloromethyl)-1-(2,4-dinitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(chloromethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Traditional Name: 3-(chloromethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H11ClN4O6 MolecularWeight: 354.70264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1CCl)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(N=C1CCl)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O6/c1-2-24-13(19)9-7-16(15-10(9)6-14)11-4-3-8(17(20)21)5-12(11)18(22)23/h3-5,7H,2,6H2,1H3