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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(2-thienyl)oxazol-4-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)C(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

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