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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [3-(2-thienyl)-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-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-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-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H11N3O7S MolecularWeight: 401.35014

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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=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7S/c21-16(24-8-15-18-17(19-27-15)14-2-1-5-28-14)4-3-10-6-12-13(26-9-25-12)7-11(10)20(22)23/h1-7H,8-9H2/b4-3+