benzotriazol-1-yl-(4-nitrophenyl)methanone

Systemtic Name: benzotriazol-1-yl-(4-nitrophenyl)methanone Openeye Name: benzotriazol-1-yl-(4-nitrophenyl)methanone CAS Name: 1-benzotriazolyl-(4-nitrophenyl)methanone IUPAC Name: benzotriazol-1-yl-(4-nitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(4-nitrophenyl)methanone Formula: C13H8N4O3 MolecularWeight: 268.22762

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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O3/c18-13(9-5-7-10(8-6-9)17(19)20)16-12-4-2-1-3-11(12)14-15-16/h1-8H