methyl 2-[(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]oxypropanoate

Systemtic Name: methyl 2-[(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]oxypropanoate Openeye Name: methyl 2-[(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]oxypropanoate CAS Name: 2-[(E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]oxypropanoate Traditional Name: 2-[(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]oxypropionic acid methyl ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O4/c1-15(22(27)28-2)29-20(26)13-10-17-14-25(19-6-4-3-5-7-19)24-21(17)16-8-11-18(23)12-9-16/h3-15H,1-2H3/b13-10+