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

Systemtic Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(isobutylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(isobutylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-5-6-16-17(13(4)19-11-12(2)3)18(23)21(20-16)14-7-9-15(10-8-14)22(24)25/h7-10,12,19H,5-6,11H2,1-4H3/b17-13-