1-(3,3-diethoxyprop-1-ynyl)-4-nitro-benzene

Systemtic Name: 1-(3,3-diethoxyprop-1-ynyl)-4-nitro-benzene Openeye Name: 1-(3,3-diethoxyprop-1-ynyl)-4-nitro-benzene CAS Name: 1-(3,3-diethoxyprop-1-ynyl)-4-nitrobenzene IUPAC Name: 1-(3,3-diethoxyprop-1-ynyl)-4-nitrobenzene Traditional Name: 1-(3,3-diethoxyprop-1-ynyl)-4-nitro-benzene Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#CC1=CC=C(C=C1)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(C#CC1=CC=C(C=C1)[N+](=O)[O-])OCC

InChI

InChI=1S/C13H15NO4/c1-3-17-13(18-4-2)10-7-11-5-8-12(9-6-11)14(15)16/h5-6,8-9,13H,3-4H2,1-2H3