2-(2-chloroethyl)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-(2-chloroethyl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-(2-chloroethyl)-3,5-dinitro-benzonitrile CAS Name: 2-(2-chloroethyl)-3,5-dinitrobenzonitrile IUPAC Name: 2-(2-chloroethyl)-3,5-dinitrobenzonitrile Traditional Name: 2-(2-chloroethyl)-3,5-dinitro-benzonitrile Formula: C9H6ClN3O4 MolecularWeight: 255.61464

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])CCCl)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])CCCl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C9H6ClN3O4/c10-2-1-8-6(5-11)3-7(12(14)15)4-9(8)13(16)17/h3-4H,1-2H2