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

Systemtic Name: (4Z)-4-[1-(tert-butylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(tert-butylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(tert-butylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(tert-butylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(tert-butylamino)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)NC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-6-7-15-16(12(2)19-18(3,4)5)17(23)21(20-15)13-8-10-14(11-9-13)22(24)25/h8-11,19H,6-7H2,1-5H3/b16-12-