[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H14BrN3O7S MolecularWeight: 484.27796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14BrN3O7S/c1-3-26-12-6-9(10(21(23)24)7-11(12)25-2)17(22)27-8-15-19-20-16(28-15)13-4-5-14(18)29-13/h4-7H,3,8H2,1-2H3