(2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate

Systemtic Name: (2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate Openeye Name: (2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate CAS Name: (2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate IUPAC Name: (2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate Traditional Name: (2R)-2-[5-(4-nitrophenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate Formula: C20H19N4O4- MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](C1=NN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-2-3-9-17(20(25)26)18-21-19(14-10-12-16(13-11-14)24(27)28)23(22-18)15-7-5-4-6-8-15/h4-8,10-13,17H,2-3,9H2,1H3,(H,25,26)/p-1/t17-/m1/s1