1-(4-nitrophenyl)hept-2-ynyl ethanoate

Systemtic Name: 1-(4-nitrophenyl)hept-2-ynyl ethanoate Openeye Name: 1-(4-nitrophenyl)hept-2-ynyl acetate CAS Name: acetic acid 1-(4-nitrophenyl)hept-2-ynyl ester IUPAC Name: 1-(4-nitrophenyl)hept-2-ynyl acetate Traditional Name: acetic acid 1-(4-nitrophenyl)hept-2-ynyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-3-4-5-6-7-15(20-12(2)17)13-8-10-14(11-9-13)16(18)19/h8-11,15H,3-5H2,1-2H3