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

Systemtic Name: (2S)-4-butyl-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2S)-4-butyl-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C=O)OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C=O)O[C@H](C1=O)C

InChI

InChI=1S/C14H17NO3/c1-3-4-7-15-12-8-11(9-16)5-6-13(12)18-10(2)14(15)17/h5-6,8-10H,3-4,7H2,1-2H3/t10-/m0/s1