(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O6S/c29-23(33-15-19-12-21(28(30)31)11-18-14-32-16-34-25(18)19)9-8-17-13-27(20-5-2-1-3-6-20)26-24(17)22-7-4-10-35-22/h1-13H,14-16H2/b9-8+