2-[(2-chlorophenyl)amino]-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-[(2-chlorophenyl)amino]-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-(2-chloroanilino)-3,5-dinitro-benzonitrile CAS Name: 2-(2-chloroanilino)-3,5-dinitrobenzonitrile IUPAC Name: 2-(2-chloroanilino)-3,5-dinitrobenzonitrile Traditional Name: 2-(2-chloroanilino)-3,5-dinitro-benzonitrile Formula: C13H7ClN4O4 MolecularWeight: 318.67208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H7ClN4O4/c14-10-3-1-2-4-11(10)16-13-8(7-15)5-9(17(19)20)6-12(13)18(21)22/h1-6,16H