ethylamino 3-(2-nitro-1,3-benzoxazol-5-yl)propanoate

Systemtic Name: ethylamino 3-(2-nitro-1,3-benzoxazol-5-yl)propanoate Openeye Name: ethylamino 3-(2-nitro-1,3-benzoxazol-5-yl)propanoate CAS Name: 3-(2-nitro-1,3-benzoxazol-5-yl)propanoic acid ethylamino ester IUPAC Name: ethylamino 3-(2-nitro-1,3-benzoxazol-5-yl)propanoate Traditional Name: 3-(2-nitro-1,3-benzoxazol-5-yl)propionic acid ethylamino ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CCNOC(=O)CCC1=CC2=C(C=C1)OC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCNOC(=O)CCC1=CC2=C(C=C1)OC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-2-13-20-11(16)6-4-8-3-5-10-9(7-8)14-12(19-10)15(17)18/h3,5,7,13H,2,4,6H2,1H3