3-(2-methylphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole Openeye Name: 5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-nitro-4-pyrrolidino-phenyl)-3-(o-tolyl)-1,2,4-oxadiazole Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c1-13-6-2-3-7-15(13)18-20-19(26-21-18)14-8-9-16(17(12-14)23(24)25)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3