3-(4-nitro-2-thiophen-2-yl-phenoxy)propanenitrile

Systemtic Name: 3-(4-nitro-2-thiophen-2-yl-phenoxy)propanenitrile Openeye Name: 3-[4-nitro-2-(2-thienyl)phenoxy]propanenitrile CAS Name: 3-(4-nitro-2-thiophen-2-ylphenoxy)propanenitrile IUPAC Name: 3-(4-nitro-2-thiophen-2-ylphenoxy)propanenitrile Traditional Name: 3-[4-nitro-2-(2-thienyl)phenoxy]propionitrile Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O3S/c14-6-2-7-18-12-5-4-10(15(16)17)9-11(12)13-3-1-8-19-13/h1,3-5,8-9H,2,7H2