6-chloranyl-9-(2-methyl-1-oxidanyl-propan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 6-chloranyl-9-(2-methyl-1-oxidanyl-propan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-9-(2-hydroxy-1,1-dimethyl-ethyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-9-(1-hydroxy-2-methylpropan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-9-(1-hydroxy-2-methylpropan-2-yl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-9-(2-hydroxy-1,1-dimethyl-ethyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H21ClNO4+ MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH+]1CC2=C3C(=CC(=C2OC1)Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(CO)[NH+]1CC2=C3C(=CC(=C2OC1)Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO4/c1-21(2,11-24)23-10-16-19-15(8-17(22)20(16)26-12-23)14(9-18(25)27-19)13-6-4-3-5-7-13/h3-9,24H,10-12H2,1-2H3/p+1