ethyl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-[5-(2-nitrophenyl)furan-2-yl]propanoate

Systemtic Name: ethyl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-[5-(2-nitrophenyl)furan-2-yl]propanoate Openeye Name: ethyl 3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-[5-(2-nitrophenyl)-2-furyl]propanoate CAS Name: 3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3-[5-(2-nitrophenyl)-2-furanyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-[5-(2-nitrophenyl)furan-2-yl]propanoate Traditional Name: 3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3-[5-(2-nitrophenyl)-2-furyl]propionic acid ethyl ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C23H25NO7/c1-4-30-21(27)11-15(22-17(25)12-23(2,3)13-18(22)26)20-10-9-19(31-20)14-7-5-6-8-16(14)24(28)29/h5-10,15,25H,4,11-13H2,1-3H3