(2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-phenyloxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (2-phenyloxazol-4-yl)methyl ester Formula: C20H14N2O7 MolecularWeight: 394.33436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=COC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=COC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O7/c23-19(26-10-15-11-27-20(21-15)13-4-2-1-3-5-13)7-6-14-8-17-18(29-12-28-17)9-16(14)22(24)25/h1-9,11H,10,12H2/b7-6+