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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-11-14(12(2)25-18-11)10-24-17(21)13-5-6-15(16(9-13)20(22)23)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3