1-chloranyl-11-(2-diethoxyphosphorylethanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 1-chloranyl-11-(2-diethoxyphosphorylethanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 1-chloro-11-(2-diethoxyphosphorylacetyl)-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 1-chloro-11-(2-diethoxyphosphoryl-1-oxoethyl)-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 1-chloro-11-(2-diethoxyphosphorylacetyl)-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 1-chloro-11-(2-diethoxyphosphorylacetyl)-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C19H20ClN2O5P MolecularWeight: 422.799261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1C(=CC=C3)Cl)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1C(=CC=C3)Cl)OCC

InChI

InChI=1S/C19H20ClN2O5P/c1-3-26-28(25,27-4-2)12-17(23)22-16-11-6-5-8-13(16)19(24)21-15-10-7-9-14(20)18(15)22/h5-11H,3-4,12H2,1-2H3,(H,21,24)