1-ethoxy-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene

Systemtic Name: 1-ethoxy-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene Openeye Name: 1-ethoxy-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene CAS Name: 1-ethoxy-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene IUPAC Name: 1-ethoxy-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene Traditional Name: 1-ethoxy-4-[2-nitro-1-(4-propargyloxyphenyl)propyl]benzene Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC#C)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC#C)C(C)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO4/c1-4-14-25-19-12-8-17(9-13-19)20(15(3)21(22)23)16-6-10-18(11-7-16)24-5-2/h1,6-13,15,20H,5,14H2,2-3H3