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

Systemtic Name: 5-[4-bromanyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-methyl-2-nitro-aniline Openeye Name: 5-[4-bromo-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-methyl-2-nitro-aniline CAS Name: 5-[4-bromo-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-methyl-2-nitroaniline IUPAC Name: 5-[4-bromo-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-N-methyl-2-nitroaniline Traditional Name: [5-[4-bromo-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-2-nitro-phenyl]-methyl-amine Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O3/c1-18-14-7-13(3-4-15(14)22(23)24)25-16-5-2-12(17)6-11(16)8-21-10-19-9-20-21/h2-7,9-10,18H,8H2,1H3