5-[(4-chloranylphenoxy)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(4-chlorophenoxy)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[(4-chlorophenoxy)methyl]-4-[(E)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(4-chlorophenoxy)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[(4-chlorophenoxy)methyl]-4-[(E)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C15H12ClN3O2 MolecularWeight: 301.72768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(NNC2=O)COC3=CC=C(C=C3)Cl)N=C1

Isomeric SMILES

C1=C/C(=C\C2=C(NNC2=O)COC3=CC=C(C=C3)Cl)/N=C1

InChI

InChI=1S/C15H12ClN3O2/c16-10-3-5-12(6-4-10)21-9-14-13(15(20)19-18-14)8-11-2-1-7-17-11/h1-8H,9H2,(H2,18,19,20)/b11-8+