5-nitro-2-(4-propanoylphenoxy)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(4-propanoylphenoxy)benzenecarbonitrile Openeye Name: 5-nitro-2-(4-propanoylphenoxy)benzonitrile CAS Name: 5-nitro-2-[4-(1-oxopropyl)phenoxy]benzonitrile IUPAC Name: 5-nitro-2-(4-propanoylphenoxy)benzonitrile Traditional Name: 5-nitro-2-(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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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