4-(3-nitro-4-pentoxy-phenyl)benzenecarbonitrile

Systemtic Name: 4-(3-nitro-4-pentoxy-phenyl)benzenecarbonitrile Openeye Name: 4-(3-nitro-4-pentoxy-phenyl)benzonitrile CAS Name: 4-(3-nitro-4-pentoxyphenyl)benzonitrile IUPAC Name: 4-(3-nitro-4-pentoxyphenyl)benzonitrile Traditional Name: 4-(4-amoxy-3-nitro-phenyl)benzonitrile Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3/c1-2-3-4-11-23-18-10-9-16(12-17(18)20(21)22)15-7-5-14(13-19)6-8-15/h5-10,12H,2-4,11H2,1H3