ethanedioic acid; 2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]-1-phenyl-ethanol Openeye Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol; oxalic acid IUPAC Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol; oxalic acid Traditional Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O4.C2H2O4/c19-15(12-4-2-1-3-5-12)10-17-11-16(20)13-6-8-14(9-7-13)18(21)22;3-1(4)2(5)6/h1-9,15-17,19-20H,10-11H2;(H,3,4)(H,5,6)