[(E)-5-(4-chlorophenyl)-4-nitro-pent-4-en-2-ynyl] benzoate

Systemtic Name: [(E)-5-(4-chlorophenyl)-4-nitro-pent-4-en-2-ynyl] benzoate Openeye Name: [(E)-5-(4-chlorophenyl)-4-nitro-pent-4-en-2-ynyl] benzoate CAS Name: benzoic acid [(E)-5-(4-chlorophenyl)-4-nitropent-4-en-2-ynyl] ester IUPAC Name: [(E)-5-(4-chlorophenyl)-4-nitropent-4-en-2-ynyl] benzoate Traditional Name: benzoic acid [(E)-5-(4-chlorophenyl)-4-nitro-pent-4-en-2-ynyl] ester Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CC(=CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#C/C(=C\C2=CC=C(C=C2)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C18H12ClNO4/c19-16-10-8-14(9-11-16)13-17(20(22)23)7-4-12-24-18(21)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,12H2/b17-13+