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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-10-7-11(4-5-13(10)18(20)21)16(19)23-9-12-8-22-15(17-12)14-3-2-6-24-14/h2-8H,9H2,1H3