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

Systemtic Name: (4Z)-4-[1-(butylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(butylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(butylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(butylamino)ethylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-4-[1-(butylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-4-14-22-15(2)19-20(16-8-6-5-7-9-16)23-24(21(19)26)17-10-12-18(13-11-17)25(27)28/h5-13,22H,3-4,14H2,1-2H3/b19-15-