4-bromanyl-5-[[2-[(E)-N-ethoxy-C-methyl-carbonimidoyl]phenoxy]methyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[[2-[(E)-N-ethoxy-C-methyl-carbonimidoyl]phenoxy]methyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[2-[(E)-N-ethoxy-C-methyl-carbonimidoyl]phenoxy]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[2-[(1E)-1-ethoxyiminoethyl]phenoxy]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[2-[(E)-N-ethoxy-C-methyl-carbonimidoyl]phenoxy]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C)C1=CC=CC=C1OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CCO/N=C(\C)/C1=CC=CC=C1OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-4-28-23-15(2)17-12-8-9-13-19(17)27-14-18-20(22)21(26)25(24(18)3)16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3/b23-15+