2-[4-(diethoxyphosphorylmethyl)-3-nitro-phenyl]-5-fluoranyl-1,3-benzothiazole

Systemtic Name: 2-[4-(diethoxyphosphorylmethyl)-3-nitro-phenyl]-5-fluoranyl-1,3-benzothiazole Openeye Name: 2-[4-(diethoxyphosphorylmethyl)-3-nitro-phenyl]-5-fluoro-1,3-benzothiazole CAS Name: 2-[4-(diethoxyphosphorylmethyl)-3-nitrophenyl]-5-fluoro-1,3-benzothiazole IUPAC Name: 2-[4-(diethoxyphosphorylmethyl)-3-nitrophenyl]-5-fluoro-1,3-benzothiazole Traditional Name: 2-[4-(diethoxyphosphorylmethyl)-3-nitro-phenyl]-5-fluoro-1,3-benzothiazole Formula: C18H18FN2O5PS MolecularWeight: 424.383084

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H18FN2O5PS/c1-3-25-27(24,26-4-2)11-13-6-5-12(9-16(13)21(22)23)18-20-15-10-14(19)7-8-17(15)28-18/h5-10H,3-4,11H2,1-2H3