(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitrobenzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitrobenzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C15H10N2O5S MolecularWeight: 330.3153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=CS3

InChI

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