methyl 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propanoate

Systemtic Name: methyl 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propanoate Openeye Name: methyl 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propanoate CAS Name: 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]-1-benzotriazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propanoate Traditional Name: 2-[6-[2-nitro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propionic acid methyl ester Formula: C17H13F3N4O5 MolecularWeight: 410.30413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=N1

Isomeric SMILES

CC(C(=O)OC)N1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=N1

InChI

InChI=1S/C17H13F3N4O5/c1-9(16(25)28-2)23-13-8-11(4-5-12(13)21-22-23)29-15-6-3-10(17(18,19)20)7-14(15)24(26)27/h3-9H,1-2H3