3-nitro-4-(4-propanoylphenoxy)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-propanoylphenoxy)benzenecarbonitrile Openeye Name: 3-nitro-4-(4-propanoylphenoxy)benzonitrile CAS Name: 3-nitro-4-[4-(1-oxopropyl)phenoxy]benzonitrile IUPAC Name: 3-nitro-4-(4-propanoylphenoxy)benzonitrile Traditional Name: 3-nitro-4-(4-propionylphenoxy)benzonitrile Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c1-2-15(19)12-4-6-13(7-5-12)22-16-8-3-11(10-17)9-14(16)18(20)21/h3-9H,2H2,1H3