4-[(4-chlorophenyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-chloroanilino)-3-nitro-benzonitrile CAS Name: 4-(4-chloroanilino)-3-nitrobenzonitrile IUPAC Name: 4-(4-chloroanilino)-3-nitrobenzonitrile Traditional Name: 4-(4-chloroanilino)-3-nitro-benzonitrile Formula: C13H8ClN3O2 MolecularWeight: 273.67452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O2/c14-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-13(12)17(18)19/h1-7,16H