(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H16FNO6S MolecularWeight: 441.428943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)/C(=C/C3=CC=C(C=C3)F)/C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H16FNO6S/c23-17-5-3-14(4-6-17)8-19(20-2-1-7-31-20)22(25)29-12-16-10-18(24(26)27)9-15-11-28-13-30-21(15)16/h1-10H,11-13H2/b19-8+