[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxidanylidene-chromen-8-yl] propanoate

Systemtic Name: [3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxidanylidene-chromen-8-yl] propanoate Openeye Name: [3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-chromen-8-yl] propanoate CAS Name: propanoic acid [3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxo-1-benzopyran-8-yl] ester IUPAC Name: [3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-oxochromen-8-yl] propanoate Traditional Name: propionic acid [3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-tert-butyl-2-keto-chromen-8-yl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C2C(=CC(=C1)C(C)(C)C)C=C(C(=O)O2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(=O)OC1=C2C(=CC(=C1)C(C)(C)C)C=C(C(=O)O2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O7/c1-5-20(28)32-19-11-15(25(2,3)4)8-14-9-16(24(29)33-21(14)19)23-26-22(27-34-23)13-6-7-17-18(10-13)31-12-30-17/h6-11H,5,12H2,1-4H3