ethyl (2E)-2-[(4-nitrophenyl)methylidene]oct-3-ynoate

Systemtic Name: ethyl (2E)-2-[(4-nitrophenyl)methylidene]oct-3-ynoate Openeye Name: ethyl (2E)-2-[(4-nitrophenyl)methylene]oct-3-ynoate CAS Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-octynoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-nitrophenyl)methylidene]oct-3-ynoate Traditional Name: (2E)-2-(4-nitrobenzylidene)oct-3-ynoic acid ethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-3-5-6-7-8-15(17(19)22-4-2)13-14-9-11-16(12-10-14)18(20)21/h9-13H,3-6H2,1-2H3/b15-13+