N2,N6-bis(4-bromophenyl)-3,5-dinitro-pyridine-2,4,6-triamine

Systemtic Name: N2,N6-bis(4-bromophenyl)-3,5-dinitro-pyridine-2,4,6-triamine Openeye Name: N2,N6-bis(4-bromophenyl)-3,5-dinitro-pyridine-2,4,6-triamine CAS Name: N2,N6-bis(4-bromophenyl)-3,5-dinitropyridine-2,4,6-triamine IUPAC Name: 2-N,6-N-bis(4-bromophenyl)-3,5-dinitropyridine-2,4,6-triamine Traditional Name: [4-amino-6-(4-bromoanilino)-3,5-dinitro-2-pyridyl]-(4-bromophenyl)amine Formula: C17H12Br2N6O4 MolecularWeight: 524.12298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C(=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-])N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C(=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-])N)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12Br2N6O4/c18-9-1-5-11(6-2-9)21-16-14(24(26)27)13(20)15(25(28)29)17(23-16)22-12-7-3-10(19)4-8-12/h1-8H,(H4,20,21,22,23)