pyridin-2-yl 3,3-dimethyl-6-(4-nitrophenyl)hex-5-ynoate

Systemtic Name: pyridin-2-yl 3,3-dimethyl-6-(4-nitrophenyl)hex-5-ynoate Openeye Name: 2-pyridyl 3,3-dimethyl-6-(4-nitrophenyl)hex-5-ynoate CAS Name: 3,3-dimethyl-6-(4-nitrophenyl)-5-hexynoic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 3,3-dimethyl-6-(4-nitrophenyl)hex-5-ynoate Traditional Name: 3,3-dimethyl-6-(4-nitrophenyl)hex-5-ynoic acid 2-pyridyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OC2=CC=CC=N2

Isomeric SMILES

CC(C)(CC#CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OC2=CC=CC=N2

InChI

InChI=1S/C19H18N2O4/c1-19(2,14-18(22)25-17-7-3-4-13-20-17)12-5-6-15-8-10-16(11-9-15)21(23)24/h3-4,7-11,13H,12,14H2,1-2H3