1-[(E)-1-(3-chlorophenyl)-2-nitro-but-1-enyl]benzotriazole

Systemtic Name: 1-[(E)-1-(3-chlorophenyl)-2-nitro-but-1-enyl]benzotriazole Openeye Name: 1-[(E)-1-(3-chlorophenyl)-2-nitro-but-1-enyl]benzotriazole CAS Name: 1-[(E)-1-(3-chlorophenyl)-2-nitrobut-1-enyl]benzotriazole IUPAC Name: 1-[(E)-1-(3-chlorophenyl)-2-nitrobut-1-enyl]benzotriazole Traditional Name: 1-[(E)-1-(3-chlorophenyl)-2-nitro-but-1-enyl]benzotriazole Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2/c1-2-14(21(22)23)16(11-6-5-7-12(17)10-11)20-15-9-4-3-8-13(15)18-19-20/h3-10H,2H2,1H3/b16-14+