5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[(octylamino)methylene]-2-pyrazolin-3-one Formula: C19H26N4O3 MolecularWeight: 358.43474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N4O3/c1-3-4-5-6-7-8-13-20-14-18-15(2)21-22(19(18)24)16-9-11-17(12-10-16)23(25)26/h9-12,14,20H,3-8,13H2,1-2H3