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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-butoxybenzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-2-3-12-27-17-10-6-15(7-11-17)20(24)28-13-18-21-22-19(29-18)14-4-8-16(9-5-14)23(25)26/h4-11H,2-3,12-13H2,1H3