N-(4-bromanyl-2-methyl-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(4-bromo-2-methyl-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(4-bromo-2-methylphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(4-bromo-2-methylphenyl)-2,4,6-trinitroaniline Traditional Name: (4-bromo-2-methyl-phenyl)-picryl-amine Formula: C13H9BrN4O6 MolecularWeight: 397.13776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN4O6/c1-7-4-8(14)2-3-10(7)15-13-11(17(21)22)5-9(16(19)20)6-12(13)18(23)24/h2-6,15H,1H3