(2-methoxy-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-methoxy-2-oxo-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-2-methoxy-ethyl) ester Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O4/c1-27-20(26)14-28-19(25)12-9-16-13-24(18-5-3-2-4-6-18)23-21(16)15-7-10-17(22)11-8-15/h2-13H,14H2,1H3/b12-9+