3,5-dimethyl-2-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]-6-oxidanyl-pyran-4-one

Systemtic Name: 3,5-dimethyl-2-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]-6-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3,5-dimethyl-6-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one CAS Name: 2-hydroxy-3,5-dimethyl-6-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]-2-oxolanyl]-4-pyranone IUPAC Name: 2-hydroxy-3,5-dimethyl-6-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one Traditional Name: 2-hydroxy-3,5-dimethyl-6-[(2S,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)O)C2CC(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C)CO2

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)O)[C@@H]2C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/CO2

InChI

InChI=1S/C21H21NO6/c1-12(8-15-4-6-17(7-5-15)22(25)26)9-16-10-18(27-11-16)20-13(2)19(23)14(3)21(24)28-20/h4-9,18,24H,10-11H2,1-3H3/b12-8+,16-9-/t18-/m0/s1