5-bromanyl-3-[[diethoxyphosphoryl(phenyl)methyl]amino]indol-2-one

Systemtic Name: 5-bromanyl-3-[[diethoxyphosphoryl(phenyl)methyl]amino]indol-2-one Openeye Name: 5-bromo-3-[[diethoxyphosphoryl(phenyl)methyl]amino]indol-2-one CAS Name: 5-bromo-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-2-indolone IUPAC Name: 5-bromo-3-[[diethoxyphosphoryl(phenyl)methyl]amino]indol-2-one Traditional Name: 5-bromo-3-[[diethoxyphosphoryl(phenyl)methyl]amino]indol-2-one Formula: C19H20BrN2O4P MolecularWeight: 451.250861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NC2=C3C=C(C=CC3=NC2=O)Br)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NC2=C3C=C(C=CC3=NC2=O)Br)OCC

InChI

InChI=1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)19(13-8-6-5-7-9-13)22-17-15-12-14(20)10-11-16(15)21-18(17)23/h5-12,19H,3-4H2,1-2H3,(H,21,22,23)