(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H13N3O5S/c1-17-13-5-4-11(19(21)22)7-12(13)16(20)24-9-10-8-23-15(18-10)14-3-2-6-25-14/h2-8,17H,9H2,1H3