6-(2-ethylhexanoyl)-2-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-ethylhexanoyl)-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-(2-ethylhexanoyl)-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-(2-ethyl-1-oxohexyl)-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-ethylhexanoyl)-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-(2-ethylhexanoyl)-2-methyl-4H-1,4-benzoxazin-3-one Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=CC2=C(C=C1)OC(C(=O)N2)C

Isomeric SMILES

CCCCC(CC)C(=O)C1=CC2=C(C=C1)OC(C(=O)N2)C

InChI

InChI=1S/C17H23NO3/c1-4-6-7-12(5-2)16(19)13-8-9-15-14(10-13)18-17(20)11(3)21-15/h8-12H,4-7H2,1-3H3,(H,18,20)