3-[[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-ethoxy-4-[[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-ethoxy-4-[[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]amino]cyclobut-3-ene-1,2-quinone Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NC(CO)C(C2=CC=CC=C2)O

Isomeric SMILES

CCOC1=C(C(=O)C1=O)N[C@@H](CO)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C15H17NO5/c1-2-21-15-11(13(19)14(15)20)16-10(8-17)12(18)9-6-4-3-5-7-9/h3-7,10,12,16-18H,2,8H2,1H3/t10-,12-/m0/s1