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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H17N3O5S/c23-19(26-12-13-10-17(27-20-13)18-4-3-9-28-18)15-11-14(22(24)25)5-6-16(15)21-7-1-2-8-21/h3-6,9-11H,1-2,7-8,12H2