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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-3-11(16)10-4-5-13-12(8-10)17(7-6-14(18)19)15(20)9(2)21-13/h4-5,8-9,11H,3,6-7,16H2,1-2H3,(H,18,19)/t9-,11+/m1/s1