ethyl 3-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]benzoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]benzoate Openeye Name: ethyl 3-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]benzoate CAS Name: 3-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]benzoate Traditional Name: 3-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methoxy]benzoic acid ethyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O4/c1-3-26-20(25)14-8-7-11-16(12-14)27-13-17-18(21)19(24)23(22(17)2)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3