methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxidanylidene-chromene-6-carboxylate

Systemtic Name: methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxidanylidene-chromene-6-carboxylate Openeye Name: methyl 3-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-2-oxo-chromene-6-carboxylate CAS Name: 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxochromene-6-carboxylate Traditional Name: 2-keto-3-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]chromene-6-carboxylic acid methyl ester Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3=CC4=C(C=CC(=C4)C(=O)OC)OC3=O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C3=CC4=C(C=CC(=C4)C(=O)OC)OC3=O

InChI

InChI=1S/C20H14N2O5/c1-11-5-3-4-6-14(11)17-21-18(27-22-17)15-10-13-9-12(19(23)25-2)7-8-16(13)26-20(15)24/h3-10H,1-2H3