4-(3-ethynylphenoxy)-1,2-dinitro-benzene

Systemtic Name: 4-(3-ethynylphenoxy)-1,2-dinitro-benzene Openeye Name: 4-(3-ethynylphenoxy)-1,2-dinitro-benzene CAS Name: 4-(3-ethynylphenoxy)-1,2-dinitrobenzene IUPAC Name: 4-(3-ethynylphenoxy)-1,2-dinitrobenzene Traditional Name: 4-(3-ethynylphenoxy)-1,2-dinitro-benzene Formula: C14H8N2O5 MolecularWeight: 284.22372

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O5/c1-2-10-4-3-5-11(8-10)21-12-6-7-13(15(17)18)14(9-12)16(19)20/h1,3-9H