benzotriazol-1-yl-(2-nitrophenyl)methanone

Systemtic Name: benzotriazol-1-yl-(2-nitrophenyl)methanone Openeye Name: benzotriazol-1-yl-(2-nitrophenyl)methanone CAS Name: 1-benzotriazolyl-(2-nitrophenyl)methanone IUPAC Name: benzotriazol-1-yl-(2-nitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(2-nitrophenyl)methanone Formula: C13H8N4O3 MolecularWeight: 268.22762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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