2-(2-aminophenyl)-4-nitro-benzenecarbonitrile; 2-chloranyl-4-nitro-benzenecarbonitrile

Systemtic Name: 2-(2-aminophenyl)-4-nitro-benzenecarbonitrile; 2-chloranyl-4-nitro-benzenecarbonitrile Openeye Name: 2-(2-aminophenyl)-4-nitro-benzonitrile; 2-chloro-4-nitro-benzonitrile CAS Name: 2-(2-aminophenyl)-4-nitrobenzonitrile; 2-chloro-4-nitrobenzonitrile IUPAC Name: 2-(2-aminophenyl)-4-nitrobenzonitrile; 2-chloro-4-nitrobenzonitrile Traditional Name: 2-(2-aminophenyl)-4-nitro-benzonitrile; 2-chloro-4-nitro-benzonitrile Formula: C20H12ClN5O4 MolecularWeight: 421.79338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O2.C7H3ClN2O2/c14-8-9-5-6-10(16(17)18)7-12(9)11-3-1-2-4-13(11)15;8-7-3-6(10(11)12)2-1-5(7)4-9/h1-7H,15H2;1-3H