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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCC(=O)[O-]

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CCC(=O)[O-]

InChI

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