2-nitro-6-pentoxy-benzenecarbonitrile

Systemtic Name: 2-nitro-6-pentoxy-benzenecarbonitrile Openeye Name: 2-nitro-6-pentoxy-benzonitrile CAS Name: 2-nitro-6-pentoxybenzonitrile IUPAC Name: 2-nitro-6-pentoxybenzonitrile Traditional Name: 2-amoxy-6-nitro-benzonitrile Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O3/c1-2-3-4-8-17-12-7-5-6-11(14(15)16)10(12)9-13/h5-7H,2-4,8H2,1H3