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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H15N3O6S/c21-6-5-18-14-4-3-12(20(23)24)9-13(14)17(22)25-10-11-8-15(26-19-11)16-2-1-7-27-16/h1-4,7-9,18,21H,5-6,10H2