4-bromanyl-N-ethyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline

Systemtic Name: 4-bromanyl-N-ethyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline Openeye Name: 4-bromo-N-ethyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline CAS Name: 4-bromo-N-ethyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline IUPAC Name: 4-bromo-N-ethyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline Traditional Name: (4-bromophenyl)-ethyl-(2-picrylethyl)amine Formula: C16H15BrN4O6 MolecularWeight: 439.2175

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CCC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H15BrN4O6/c1-2-18(12-5-3-11(17)4-6-12)8-7-14-15(20(24)25)9-13(19(22)23)10-16(14)21(26)27/h3-6,9-10H,2,7-8H2,1H3