N-(3-bromophenyl)-2,4-dinitro-aniline

Systemtic Name: N-(3-bromophenyl)-2,4-dinitro-aniline Openeye Name: N-(3-bromophenyl)-2,4-dinitro-aniline CAS Name: N-(3-bromophenyl)-2,4-dinitroaniline IUPAC Name: N-(3-bromophenyl)-2,4-dinitroaniline Traditional Name: (3-bromophenyl)-(2,4-dinitrophenyl)amine Formula: C12H8BrN3O4 MolecularWeight: 338.11362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrN3O4/c13-8-2-1-3-9(6-8)14-11-5-4-10(15(17)18)7-12(11)16(19)20/h1-7,14H