4-[2,3-bis(oxidanyl)propyl]-6-chloranyl-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-6-chloranyl-2-phenyl-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-phenyl-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-glyceryl-2-phenyl-1,4-benzoxazin-3-one Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)N(C3=C(O2)C=CC(=C3)Cl)CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)N(C3=C(O2)C=CC(=C3)Cl)CC(CO)O

InChI

InChI=1S/C17H16ClNO4/c18-12-6-7-15-14(8-12)19(9-13(21)10-20)17(22)16(23-15)11-4-2-1-3-5-11/h1-8,13,16,20-21H,9-10H2