2-azanyl-5-(2-chloranyl-1-oxidanyl-ethyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-(2-chloranyl-1-oxidanyl-ethyl)-3-nitro-benzenecarbonitrile Openeye Name: 2-amino-5-(2-chloro-1-hydroxy-ethyl)-3-nitro-benzonitrile CAS Name: 2-amino-5-(2-chloro-1-hydroxyethyl)-3-nitrobenzonitrile IUPAC Name: 2-amino-5-(2-chloro-1-hydroxyethyl)-3-nitrobenzonitrile Traditional Name: 2-amino-5-(2-chloro-1-hydroxy-ethyl)-3-nitro-benzonitrile Formula: C9H8ClN3O3 MolecularWeight: 241.63112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClN3O3/c10-3-8(14)5-1-6(4-11)9(12)7(2-5)13(15)16/h1-2,8,14H,3,12H2