4-(2-nitroethyl)benzenecarbonitrile

Systemtic Name: 4-(2-nitroethyl)benzenecarbonitrile Openeye Name: 4-(2-nitroethyl)benzonitrile CAS Name: 4-(2-nitroethyl)benzonitrile IUPAC Name: 4-(2-nitroethyl)benzonitrile Traditional Name: 4-(2-nitroethyl)benzonitrile Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CC[N+](=O)[O-])C#N

InChI

InChI=1S/C9H8N2O2/c10-7-9-3-1-8(2-4-9)5-6-11(12)13/h1-4H,5-6H2