1-[(3R)-3-(5-nitrofuran-2-yl)-2-phenyl-4-(phenylmethyl)-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[(3R)-3-(5-nitrofuran-2-yl)-2-phenyl-4-(phenylmethyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[(3R)-4-benzyl-3-(5-nitro-2-furyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[(3R)-3-(5-nitro-2-furanyl)-2-phenyl-4-(phenylmethyl)-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[(3R)-4-benzyl-3-(5-nitrofuran-2-yl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[(3R)-4-benzyl-3-(5-nitro-2-furyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN([C@@H](N1CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4/c1-15(26)20-22-24(17-10-6-3-7-11-17)21(18-12-13-19(29-18)25(27)28)23(20)14-16-8-4-2-5-9-16/h2-13,21H,14H2,1H3/t21-/m1/s1