3-[6-[(1S)-1-azaniumylethyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: 3-[6-[(1S)-1-azaniumylethyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[6-[(1S)-1-azaniumylethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[6-[(1S)-1-ammonioethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[6-[(1S)-1-azaniumylethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[6-[(1S)-1-ammonioethyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionate Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C)[NH3+]

InChI

InChI=1S/C15H20N2O4/c1-9(16)10-4-5-12-11(8-10)17(7-6-13(18)19)14(20)15(2,3)21-12/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,19)/t9-/m0/s1