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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (5-phenylisoxazol-3-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 (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-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 (5-phenylisoxazol-3-yl)methyl ester Formula: C20H14N2O7 MolecularWeight: 394.33436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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