5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylene]-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-4-[(3-methoxypropylamino)methylene]-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-29-13-3-12-22-14-19-20(15-4-10-18(30-2)11-5-15)23-24(21(19)26)16-6-8-17(9-7-16)25(27)28/h4-11,14,22H,3,12-13H2,1-2H3