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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)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 (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H17BrN2O4/c1-10-13(11(2)20(3)19-10)4-5-17(21)22-8-12-6-15-16(7-14(12)18)24-9-23-15/h4-7H,8-9H2,1-3H3/b5-4+