5-chloranyl-2,4,6-trinitro-benzene-1,3-diamine

Systemtic Name: 5-chloranyl-2,4,6-trinitro-benzene-1,3-diamine Openeye Name: 5-chloro-2,4,6-trinitro-benzene-1,3-diamine CAS Name: 5-chloro-2,4,6-trinitrobenzene-1,3-diamine IUPAC Name: 5-chloro-2,4,6-trinitrobenzene-1,3-diamine Traditional Name: (3-amino-5-chloro-2,4,6-trinitro-phenyl)amine Formula: C6H4ClN5O6 MolecularWeight: 277.57886

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])N)[N+](=O)[O-])N

Isomeric SMILES

C1(=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])N)[N+](=O)[O-])N

InChI

InChI=1S/C6H4ClN5O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h8-9H2