[(E)-3-(2,6-dimethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxidanylidene-hex-5-enyl] nitrate

Systemtic Name: [(E)-3-(2,6-dimethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxidanylidene-hex-5-enyl] nitrate Openeye Name: [(E)-3-(2,6-dimethylphenyl)-2-methyl-6-(5-methyl-2-furyl)-4-oxo-hex-5-enyl] nitrate CAS Name: nitric acid [(E)-3-(2,6-dimethylphenyl)-2-methyl-6-(5-methyl-2-furanyl)-4-oxohex-5-enyl] ester IUPAC Name: [(E)-3-(2,6-dimethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxohex-5-enyl] nitrate Traditional Name: nitric acid [(E)-3-(2,6-dimethylphenyl)-4-keto-2-methyl-6-(5-methyl-2-furyl)hex-5-enyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C(C)CO[N+](=O)[O-])C(=O)C=CC2=CC=C(O2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C(C)CO[N+](=O)[O-])C(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C20H23NO5/c1-13-6-5-7-14(2)19(13)20(15(3)12-25-21(23)24)18(22)11-10-17-9-8-16(4)26-17/h5-11,15,20H,12H2,1-4H3/b11-10+