[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H8FN3O5S MolecularWeight: 325.272423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])F

InChI

InChI=1S/C12H8FN3O5S/c13-8-3-1-7(2-4-8)11(18)21-6-9(17)15-12-14-5-10(22-12)16(19)20/h1-5H,6H2,(H,14,15,17)