[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H20ClN3O7/c1-3-9-30-19-16(22)10-14(11-17(19)29-4-2)21(26)31-12-18-23-24-20(32-18)13-5-7-15(8-6-13)25(27)28/h5-8,10-11H,3-4,9,12H2,1-2H3