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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-thienyl)oxazol-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-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-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-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H12N2O7S MolecularWeight: 400.36208

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O7S/c21-17(24-8-12-9-25-18(19-12)16-2-1-5-28-16)4-3-11-6-14-15(27-10-26-14)7-13(11)20(22)23/h1-7,9H,8,10H2/b4-3+