(2S)-4-hexyl-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: (2S)-4-hexyl-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2S)-4-hexyl-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C=O)OC(C1=O)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)C=O)O[C@H](C1=O)C

InChI

InChI=1S/C16H21NO3/c1-3-4-5-6-9-17-14-10-13(11-18)7-8-15(14)20-12(2)16(17)19/h7-8,10-12H,3-6,9H2,1-2H3/t12-/m0/s1