N-methyl-2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]aniline

Systemtic Name: N-methyl-2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]aniline Openeye Name: N-methyl-2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]aniline CAS Name: N-methyl-2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]aniline IUPAC Name: N-methyl-2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]aniline Traditional Name: methyl-[2-nitro-5-[2-(1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]amine Formula: C17H14F3N5O3 MolecularWeight: 393.31997

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N5O3/c1-21-14-7-13(3-4-15(14)25(26)27)28-16-5-2-12(17(18,19)20)6-11(16)8-24-10-22-9-23-24/h2-7,9-10,21H,8H2,1H3