6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl ethanoate

Systemtic Name: 6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl ethanoate Openeye Name: 6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl acetate CAS Name: acetic acid 6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl ester IUPAC Name: 6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl acetate Traditional Name: acetic acid 6-[4-(3-nitrophenyl)but-3-ynoxy]hexyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCOCCC#CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCCCCOCCC#CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO5/c1-16(20)24-14-6-3-2-5-12-23-13-7-4-9-17-10-8-11-18(15-17)19(21)22/h8,10-11,15H,2-3,5-7,12-14H2,1H3