1-[(2S)-1-nitro-3-phenyl-propan-2-yl]benzotriazole

Systemtic Name: 1-[(2S)-1-nitro-3-phenyl-propan-2-yl]benzotriazole Openeye Name: 1-[(1S)-1-benzyl-2-nitro-ethyl]benzotriazole CAS Name: 1-[(2S)-1-nitro-3-phenylpropan-2-yl]benzotriazole IUPAC Name: 1-[(2S)-1-nitro-3-phenylpropan-2-yl]benzotriazole Traditional Name: 1-[(1S)-1-benzyl-2-nitro-ethyl]benzotriazole Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H14N4O2/c20-18(21)11-13(10-12-6-2-1-3-7-12)19-15-9-5-4-8-14(15)16-17-19/h1-9,13H,10-11H2/t13-/m0/s1