(3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C15H16N4O5/c1-10-16-14(24-17-10)9-23-15(20)12-8-11(19(21)22)4-5-13(12)18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3