(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate Traditional Name: 3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H17BrN2O5/c1-13-2-4-14(5-3-13)22-25-24-19(30-22)8-9-20(26)28-12-15-10-21(27)29-18-11-16(23)6-7-17(15)18/h2-7,10-11H,8-9,12H2,1H3