4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyleneamino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC4=C3OCOC4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC4=C3OCOC4)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-13-18(20(25)24(23(13)2)17-6-4-3-5-7-17)22-10-14-8-16(21)9-15-11-26-12-27-19(14)15/h3-10H,11-12H2,1-2H3