(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H13N3O6S MolecularWeight: 387.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6S/c21-15(8-18-16(22)11-3-1-4-13(7-11)20(23)24)25-9-12-10-26-17(19-12)14-5-2-6-27-14/h1-7,10H,8-9H2,(H,18,22)