2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-6-nitro-1,3-benzothiazole Formula: C18H19N2O5PS MolecularWeight: 406.392621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2O5PS/c1-3-24-26(23,25-4-2)12-13-5-7-14(8-6-13)18-19-16-10-9-15(20(21)22)11-17(16)27-18/h5-11H,3-4,12H2,1-2H3