5-chloranyl-4-(cyanomethyl)-2-nitro-3-propyl-benzenecarbonitrile

Systemtic Name: 5-chloranyl-4-(cyanomethyl)-2-nitro-3-propyl-benzenecarbonitrile Openeye Name: 5-chloro-4-(cyanomethyl)-2-nitro-3-propyl-benzonitrile CAS Name: 5-chloro-4-(cyanomethyl)-2-nitro-3-propylbenzonitrile IUPAC Name: 5-chloro-4-(cyanomethyl)-2-nitro-3-propylbenzonitrile Traditional Name: 5-chloro-4-(cyanomethyl)-2-nitro-3-propyl-benzonitrile Formula: C12H10ClN3O2 MolecularWeight: 263.6797

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1CC#N)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=CC(=C1CC#N)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O2/c1-2-3-10-9(4-5-14)11(13)6-8(7-15)12(10)16(17)18/h6H,2-4H2,1H3