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

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic 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 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C13H9BrN4O5S MolecularWeight: 413.20336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN4O5S/c1-17-5-7(18(20)21)4-8(17)13(19)22-6-11-15-16-12(23-11)9-2-3-10(14)24-9/h2-5H,6H2,1H3