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

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c25-21(28-14-17-13-18(22-29-17)15-6-2-1-3-7-15)16-8-9-19(20(12-16)24(26)27)23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2