(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC(=NO3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC(=NO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H17ClN2O5/c1-13-9-18-16(11-17(13)23)15(10-21(27)29-18)12-28-20(26)8-7-19-24-22(25-30-19)14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3