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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-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 (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-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 (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H13N3O7 MolecularWeight: 395.32242

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O7/c23-18(26-10-17-20-19(21-29-17)12-4-2-1-3-5-12)7-6-13-8-15-16(28-11-27-15)9-14(13)22(24)25/h1-9H,10-11H2/b7-6+