1-ethyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene

Systemtic Name: 1-ethyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene Openeye Name: 1-ethyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene CAS Name: 1-ethyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene IUPAC Name: 1-ethyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene Traditional Name: 1-ethyl-4-[2-nitro-1-(4-propargyloxyphenyl)butyl]benzene Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC#C)C(CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC#C)C(CC)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO3/c1-4-15-25-19-13-11-18(12-14-19)21(20(6-3)22(23)24)17-9-7-16(5-2)8-10-17/h1,7-14,20-21H,5-6,15H2,2-3H3