benzotriazol-1-yl-(4-chloranyl-3,5-dinitro-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(4-chloranyl-3,5-dinitro-phenyl)methanone Openeye Name: benzotriazol-1-yl-(4-chloro-3,5-dinitro-phenyl)methanone CAS Name: 1-benzotriazolyl-(4-chloro-3,5-dinitrophenyl)methanone IUPAC Name: benzotriazol-1-yl-(4-chloro-3,5-dinitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(4-chloro-3,5-dinitro-phenyl)methanone Formula: C13H6ClN5O5 MolecularWeight: 347.67024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H6ClN5O5/c14-12-10(18(21)22)5-7(6-11(12)19(23)24)13(20)17-9-4-2-1-3-8(9)15-16-17/h1-6H