ethyl (E)-3-[4-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-thiophen-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-thiophen-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(2-ethoxy-2-oxo-ethyl)-5-nitro-2-thienyl]prop-2-enoate CAS Name: (E)-3-[4-(2-ethoxy-2-oxoethyl)-5-nitro-2-thiophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(2-ethoxy-2-oxoethyl)-5-nitrothiophen-2-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-ethoxy-2-keto-ethyl)-5-nitro-2-thienyl]acrylic acid ethyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1)C=CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1)/C=C/C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c1-3-19-11(15)6-5-10-7-9(8-12(16)20-4-2)13(21-10)14(17)18/h5-7H,3-4,8H2,1-2H3/b6-5+