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

Systemtic Name: [4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(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=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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