3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenyl-1H-pyrazol-5-one

Systemtic Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenyl-1H-pyrazol-5-one Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-phenyl-1H-pyrazol-5-one CAS Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenyl-1H-pyrazol-5-one IUPAC Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenyl-1H-pyrazol-5-one Traditional Name: 1-phenyl-5-[(E)-piperonylideneamino]-3-pyrazolin-3-one Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NC3=CC(=O)NN3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/C3=CC(=O)NN3C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O3/c21-17-9-16(20(19-17)13-4-2-1-3-5-13)18-10-12-6-7-14-15(8-12)23-11-22-14/h1-10H,11H2,(H,19,21)/b18-10+