[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O4S/c1-22(2)16-8-5-13(9-17(16)23(25)26)19(24)27-10-15-11-28-18(21-15)12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3