ethyl 2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-(2,4-dinitrophenyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(2,4-dinitrophenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2,4-dinitrophenyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[1-(2,4-dinitrophenyl)-5-keto-2-pyrazolin-3-yl]acetic acid ethyl ester Formula: C13H12N4O7 MolecularWeight: 336.25698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O7/c1-2-24-13(19)6-8-5-12(18)15(14-8)10-4-3-9(16(20)21)7-11(10)17(22)23/h3-4,7H,2,5-6H2,1H3