(4Z)-4-[1-[(2-methoxyphenyl)methylamino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[(2-methoxyphenyl)methylamino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-[(2-methoxyphenyl)methylamino]ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-[(2-methoxyphenyl)methylamino]ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-[(2-methoxyphenyl)methylamino]ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-4-[1-(o-anisylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2=CC=CC=C2OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-4-7-19-21(15(2)23-14-16-8-5-6-9-20(16)30-3)22(27)25(24-19)17-10-12-18(13-11-17)26(28)29/h5-6,8-13,23H,4,7,14H2,1-3H3/b21-15-