[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethylquinoline-4-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-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 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic 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=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

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