[(E)-4-(4-methoxy-5-methyl-6-oxidanylidene-pyran-2-yl)-2-methyl-1-(4-nitrophenyl)pent-1-en-3-yl] methanesulfonate

Systemtic Name: [(E)-4-(4-methoxy-5-methyl-6-oxidanylidene-pyran-2-yl)-2-methyl-1-(4-nitrophenyl)pent-1-en-3-yl] methanesulfonate Openeye Name: [(E)-1-[1-(4-methoxy-5-methyl-6-oxo-pyran-2-yl)ethyl]-2-methyl-3-(4-nitrophenyl)allyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-4-(4-methoxy-5-methyl-6-oxo-2-pyranyl)-2-methyl-1-(4-nitrophenyl)pent-1-en-3-yl] ester IUPAC Name: [(E)-4-(4-methoxy-5-methyl-6-oxopyran-2-yl)-2-methyl-1-(4-nitrophenyl)pent-1-en-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-1-[1-(6-keto-4-methoxy-5-methyl-pyran-2-yl)ethyl]-2-methyl-3-(4-nitrophenyl)allyl] ester Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(OC1=O)C(C)C(C(=CC2=CC=C(C=C2)[N+](=O)[O-])C)OS(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C=C(OC1=O)C(C)C(/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C)OS(=O)(=O)C)OC

InChI

InChI=1S/C20H23NO8S/c1-12(10-15-6-8-16(9-7-15)21(23)24)19(29-30(5,25)26)13(2)18-11-17(27-4)14(3)20(22)28-18/h6-11,13,19H,1-5H3/b12-10+