(4E)-3-(1,3-benzodioxol-5-yl)-4-[[(4-chlorophenyl)amino]methylidene]-1H-pyrazol-5-one

Systemtic Name: (4E)-3-(1,3-benzodioxol-5-yl)-4-[[(4-chlorophenyl)amino]methylidene]-1H-pyrazol-5-one Openeye Name: (4E)-3-(1,3-benzodioxol-5-yl)-4-[(4-chloroanilino)methylene]-1H-pyrazol-5-one CAS Name: (4E)-3-(1,3-benzodioxol-5-yl)-4-[(4-chloroanilino)methylidene]-1H-pyrazol-5-one IUPAC Name: (4E)-3-(1,3-benzodioxol-5-yl)-4-[(4-chloroanilino)methylidene]-1H-pyrazol-5-one Traditional Name: (4E)-5-(1,3-benzodioxol-5-yl)-4-[(4-chloroanilino)methylene]-2-pyrazolin-3-one Formula: C17H12ClN3O3 MolecularWeight: 341.74848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=O)C3=CNC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C\3=NNC(=O)/C3=C/NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN3O3/c18-11-2-4-12(5-3-11)19-8-13-16(20-21-17(13)22)10-1-6-14-15(7-10)24-9-23-14/h1-8,19H,9H2,(H,21,22)/b13-8+