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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)CCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Br

InChI

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