(4-bromanyl-2,5-dimethoxy-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C18H21BrN2O4/c1-11-14(12(2)21(3)20-11)6-7-18(22)25-10-13-8-17(24-5)15(19)9-16(13)23-4/h6-9H,10H2,1-5H3/b7-6+