(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C15H10N2O5S/c18-15(10-3-1-4-12(7-10)17(19)20)21-9-11-8-13(22-16-11)14-5-2-6-23-14/h1-8H,9H2