2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one

Systemtic Name: 2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one Openeye Name: 2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one CAS Name: 2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one IUPAC Name: 2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one Traditional Name: 2-(2,4-dinitrophenyl)-5-[(Z)-heptadec-8-enyl]-2-pyrazolin-3-one Formula: C26H38N4O5 MolecularWeight: 486.60372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H38N4O5/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/h9-10,18-19,21H,2-8,11-17,20H2,1H3/b10-9-