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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H17N3O5/c1-11-8-12(17-24-11)10-23-16(20)14-9-13(19(21)22)4-5-15(14)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3