1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole

Systemtic Name: 1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Openeye Name: 1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole CAS Name: 1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole IUPAC Name: 1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Traditional Name: 1-methyl-6-[4-nitro-2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Formula: C16H13N7O3 MolecularWeight: 351.31952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])CN4C=NC=N4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])CN4C=NC=N4)N=N1

InChI

InChI=1S/C16H13N7O3/c1-21-15-7-13(3-4-14(15)19-20-21)26-16-5-2-12(23(24)25)6-11(16)8-22-10-17-9-18-22/h2-7,9-10H,8H2,1H3