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

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-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 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H15BrN4O6S MolecularWeight: 483.2932

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrN4O6S/c1-26-7-6-19-12-3-2-10(22(24)25)8-11(12)17(23)27-9-15-20-21-16(28-15)13-4-5-14(18)29-13/h2-5,8,19H,6-7,9H2,1H3