4-bromanyl-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenylpyrazol-3-one Traditional Name: 4-bromo-1-methyl-5-[(4-nitrophenoxy)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN3O4/c1-19-15(11-25-14-9-7-13(8-10-14)21(23)24)16(18)17(22)20(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3