4-nitro-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-(4-propanoylphenoxy)phthalonitrile CAS Name: 4-nitro-5-[4-(1-oxopropyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-(4-propionylphenoxy)phthalonitrile Formula: C17H11N3O4 MolecularWeight: 321.28694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4/c1-2-16(21)11-3-5-14(6-4-11)24-17-8-13(10-19)12(9-18)7-15(17)20(22)23/h3-8H,2H2,1H3