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

Systemtic Name: (4Z)-4-[1-(3-methoxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(3-methoxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(3-methoxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(3-methoxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-4-[1-(3-methoxypropylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-15(22-13-6-14-29-2)19-20(16-7-4-3-5-8-16)23-24(21(19)26)17-9-11-18(12-10-17)25(27)28/h3-5,7-12,22H,6,13-14H2,1-2H3/b19-15-