5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazole

Systemtic Name: 5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazole Openeye Name: 5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)isoxazole CAS Name: 5-(1-benzotriazolylmethyl)-3-(3-nitrophenyl)isoxazole IUPAC Name: 5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazole Traditional Name: 5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)isoxazole Formula: C16H11N5O3 MolecularWeight: 321.29024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3/c22-21(23)12-5-3-4-11(8-12)15-9-13(24-18-15)10-20-16-7-2-1-6-14(16)17-19-20/h1-9H,10H2