benzotriazol-1-yl-(2-chloranyl-3,5-dinitro-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(2-chloranyl-3,5-dinitro-phenyl)methanone Openeye Name: benzotriazol-1-yl-(2-chloro-3,5-dinitro-phenyl)methanone CAS Name: 1-benzotriazolyl-(2-chloro-3,5-dinitrophenyl)methanone IUPAC Name: benzotriazol-1-yl-(2-chloro-3,5-dinitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(2-chloro-3,5-dinitro-phenyl)methanone Formula: C13H6ClN5O5 MolecularWeight: 347.67024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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