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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

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