4-[[3,5-bis(chloranyl)-4-nitro-phenyl]amino]-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(chloranyl)-4-nitro-phenyl]amino]-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(3,5-dichloro-4-nitro-anilino)-3,5-dinitro-benzonitrile CAS Name: 4-(3,5-dichloro-4-nitroanilino)-3,5-dinitrobenzonitrile IUPAC Name: 4-(3,5-dichloro-4-nitroanilino)-3,5-dinitrobenzonitrile Traditional Name: 4-(3,5-dichloro-4-nitro-anilino)-3,5-dinitro-benzonitrile Formula: C13H5Cl2N5O6 MolecularWeight: 398.1147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H5Cl2N5O6/c14-8-3-7(4-9(15)13(8)20(25)26)17-12-10(18(21)22)1-6(5-16)2-11(12)19(23)24/h1-4,17H