3-chloranyl-N'-(2-diethoxyphosphorylethanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(2-diethoxyphosphorylethanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-(2-diethoxyphosphorylacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(2-diethoxyphosphoryl-1-oxoethyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(2-diethoxyphosphorylacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-(2-diethoxyphosphorylacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C20H23ClN3O6P MolecularWeight: 467.839881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)OCC

InChI

InChI=1S/C20H23ClN3O6P/c1-3-28-31(27,29-4-2)13-19(25)22-23-20(26)24-12-14-7-5-6-8-17(14)30-18-10-9-15(21)11-16(18)24/h5-11H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)