4-bromanyl-N-methyl-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]aniline

Systemtic Name: 4-bromanyl-N-methyl-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]aniline Openeye Name: 4-bromo-N-methyl-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]aniline CAS Name: 4-bromo-N-methyl-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]aniline IUPAC Name: 4-bromo-N-methyl-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]aniline Traditional Name: [4-bromo-2-nitro-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]phenyl]-methyl-amine Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(C=C1)Br)OC2=CC=CC=C2CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=C(C=C1)Br)OC2=CC=CC=C2CN3C=NC=N3)[N+](=O)[O-]

InChI

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