2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 4-[(allylamino)methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-4-[(prop-2-enylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 4-[(allylamino)methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-3-5-15-14(11-17-10-4-2)16(21)19(18-15)12-6-8-13(9-7-12)20(22)23/h4,6-9,11,17H,2-3,5,10H2,1H3