ethyl 2-(4-nitrophenyl)carbonylhept-6-ynoate

Systemtic Name: ethyl 2-(4-nitrophenyl)carbonylhept-6-ynoate Openeye Name: ethyl 2-(4-nitrobenzoyl)hept-6-ynoate CAS Name: 2-[(4-nitrophenyl)-oxomethyl]-6-heptynoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrobenzoyl)hept-6-ynoate Traditional Name: 2-(4-nitrobenzoyl)hept-6-ynoic acid ethyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC#C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCCC#C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5/c1-3-5-6-7-14(16(19)22-4-2)15(18)12-8-10-13(11-9-12)17(20)21/h1,8-11,14H,4-7H2,2H3