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

Systemtic Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(isobutylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(2-methylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-4-[1-(isobutylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CN/C(=C\1/C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/C

InChI

InChI=1S/C21H22N4O3/c1-14(2)13-22-15(3)19-20(16-7-5-4-6-8-16)23-24(21(19)26)17-9-11-18(12-10-17)25(27)28/h4-12,14,22H,13H2,1-3H3/b19-15-