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

Systemtic Name: 3-[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-6-[(1S)-1-ammonioethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-6-[(1S)-1-azaniumylethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-6-[(1S)-1-ammonioethyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-8(15)10-3-4-12-11(7-10)16(6-5-13(17)18)14(19)9(2)20-12/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,18)/t8-,9+/m0/s1