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

Systemtic Name: 4-bromanyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline Openeye Name: 4-bromo-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline CAS Name: 4-bromo-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline IUPAC Name: 4-bromo-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline Traditional Name: (4-bromophenyl)-(2-picrylethyl)amine Formula: C14H11BrN4O6 MolecularWeight: 411.16434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H11BrN4O6/c15-9-1-3-10(4-2-9)16-6-5-12-13(18(22)23)7-11(17(20)21)8-14(12)19(24)25/h1-4,7-8,16H,5-6H2