4-[[(4-methoxyphenyl)methylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-[[(4-methoxyphenyl)methylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[[(4-methoxyphenyl)methylamino]methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[(4-methoxyphenyl)methylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[(4-methoxyphenyl)methylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-4-[(p-anisylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-3-4-20-19(14-22-13-15-5-11-18(29-2)12-6-15)21(26)24(23-20)16-7-9-17(10-8-16)25(27)28/h5-12,14,22H,3-4,13H2,1-2H3