2-(2,4-dinitrophenyl)-5-heptadecyl-4H-pyrazol-3-one

Systemtic Name: 2-(2,4-dinitrophenyl)-5-heptadecyl-4H-pyrazol-3-one Openeye Name: 2-(2,4-dinitrophenyl)-5-heptadecyl-4H-pyrazol-3-one CAS Name: 2-(2,4-dinitrophenyl)-5-heptadecyl-4H-pyrazol-3-one IUPAC Name: 2-(2,4-dinitrophenyl)-5-heptadecyl-4H-pyrazol-3-one Traditional Name: 2-(2,4-dinitrophenyl)-5-heptadecyl-2-pyrazolin-3-one Formula: C26H40N4O5 MolecularWeight: 488.6196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26(31)28(27-22)24-19-18-23(29(32)33)21-25(24)30(34)35/h18-19,21H,2-17,20H2,1H3