[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C18H14FN3O4S MolecularWeight: 387.384863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN3O4S/c1-20-16-7-6-14(22(24)25)8-15(16)18(23)26-9-13-10-27-17(21-13)11-2-4-12(19)5-3-11/h2-8,10,20H,9H2,1H3