[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C17H11FN2O4S MolecularWeight: 358.343643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11FN2O4S/c18-12-7-5-11(6-8-12)16-19-13(10-25-16)9-24-17(21)14-3-1-2-4-15(14)20(22)23/h1-8,10H,9H2