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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-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-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H18BrN3O7 MolecularWeight: 492.27682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18BrN3O7/c1-3-8-29-18-15(21)9-13(10-16(18)28-2)20(25)30-11-17-22-23-19(31-17)12-4-6-14(7-5-12)24(26)27/h4-7,9-10H,3,8,11H2,1-2H3