1-[(2R)-1-nitropent-4-en-2-yl]benzotriazole

Systemtic Name: 1-[(2R)-1-nitropent-4-en-2-yl]benzotriazole Openeye Name: 1-[(1R)-1-(nitromethyl)but-3-enyl]benzotriazole CAS Name: 1-[(2R)-1-nitropent-4-en-2-yl]benzotriazole IUPAC Name: 1-[(2R)-1-nitropent-4-en-2-yl]benzotriazole Traditional Name: 1-[(1R)-1-(nitromethyl)but-3-enyl]benzotriazole Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C[N+](=O)[O-])N1C2=CC=CC=C2N=N1

Isomeric SMILES

C=CC[C@H](C[N+](=O)[O-])N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H12N4O2/c1-2-5-9(8-14(16)17)15-11-7-4-3-6-10(11)12-13-15/h2-4,6-7,9H,1,5,8H2/t9-/m1/s1