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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-2-10(15)9-3-4-12-11(7-9)16(6-5-14(18)19)13(17)8-20-12/h3-4,7,10H,2,5-6,8,15H2,1H3,(H,18,19)/t10-/m0/s1