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

Systemtic Name: (4Z)-2-(4-nitrophenyl)-4-[1-(3-oxidanylpropylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCCO)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCCO)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c1-3-5-15-16(12(2)18-10-4-11-22)17(23)20(19-15)13-6-8-14(9-7-13)21(24)25/h6-9,18,22H,3-5,10-11H2,1-2H3/b16-12-