[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C16H10FN3O5S MolecularWeight: 375.331103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10FN3O5S/c17-10-3-6-12-13(7-10)26-16(18-12)19-14(21)8-25-15(22)9-1-4-11(5-2-9)20(23)24/h1-7H,8H2,(H,18,19,21)