2,6-bis(bromanyl)-4-nitro-aniline; 2-bromanyl-4-nitro-aniline

Systemtic Name: 2,6-bis(bromanyl)-4-nitro-aniline; 2-bromanyl-4-nitro-aniline Openeye Name: 2-bromo-4-nitro-aniline; 2,6-dibromo-4-nitro-aniline CAS Name: 2-bromo-4-nitroaniline; 2,6-dibromo-4-nitroaniline IUPAC Name: 2-bromo-4-nitroaniline; 2,6-dibromo-4-nitroaniline Traditional Name: (2-bromo-4-nitro-phenyl)amine; (2,6-dibromo-4-nitro-phenyl)amine Formula: C12H9Br3N4O4 MolecularWeight: 512.93626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)N.C1=C(C=C(C(=C1Br)N)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)N.C1=C(C=C(C(=C1Br)N)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H4Br2N2O2.C6H5BrN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9;7-5-3-4(9(10)11)1-2-6(5)8/h1-2H,9H2;1-3H,8H2