[5-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [5-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [5-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] ester IUPAC Name: [5-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] ester Formula: C21H13FN2O5S MolecularWeight: 424.401723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13FN2O5S/c1-28-17-8-4-13(20-23-16-11-14(22)5-9-19(16)30-20)10-18(17)29-21(25)12-2-6-15(7-3-12)24(26)27/h2-11H,1H3