[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c1-12-16-5-3-4-6-17(16)22-13(2)19(12)21(26)29-11-18-23-24-20(30-18)14-7-9-15(10-8-14)25(27)28/h3-10H,11H2,1-2H3