(2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(CC)C(=O)[O-])C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2[C@H](CC)C(=O)[O-])C

InChI

InChI=1S/C17H21NO5/c1-4-6-14(19)11-7-8-15-13(9-11)18(12(5-2)17(21)22)16(20)10(3)23-15/h7-10,12H,4-6H2,1-3H3,(H,21,22)/p-1/t10-,12-/m1/s1