N-[(4-nitrobenzotriazol-1-yl)methyl]-3-(trifluoromethyl)aniline

Systemtic Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-3-(trifluoromethyl)aniline Openeye Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-3-(trifluoromethyl)aniline CAS Name: N-[(4-nitro-1-benzotriazolyl)methyl]-3-(trifluoromethyl)aniline IUPAC Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-3-(trifluoromethyl)aniline Traditional Name: (4-nitrobenzotriazol-1-yl)methyl-[3-(trifluoromethyl)phenyl]amine Formula: C14H10F3N5O2 MolecularWeight: 337.25671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2)C(F)(F)F

InChI

InChI=1S/C14H10F3N5O2/c15-14(16,17)9-3-1-4-10(7-9)18-8-21-11-5-2-6-12(22(23)24)13(11)19-20-21/h1-7,18H,8H2