(4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3/c1-12-15(18(22)21(20-12)14-5-3-2-4-6-14)10-19-13-7-8-16-17(9-13)24-11-23-16/h2-10,19H,11H2,1H3/b15-10+