1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1-benzotriazolyl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(benzotriazol-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanone Formula: C14H10N4O3 MolecularWeight: 282.2542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O3/c1-9(19)10-6-7-13(14(8-10)18(20)21)17-12-5-3-2-4-11(12)15-16-17/h2-8H,1H3