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

Systemtic Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid 1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5/c1-10-5-4-6-12(7-10)16-19-18-15(26-16)11(2)25-17(22)14-8-13(21(23)24)9-20(14)3/h4-9,11H,1-3H3