ethyl 2-(2-chloranyl-5-nitro-6-pyridin-2-yl-cyclohexa-1,5-dien-1-yl)oxypropanoate

Systemtic Name: ethyl 2-(2-chloranyl-5-nitro-6-pyridin-2-yl-cyclohexa-1,5-dien-1-yl)oxypropanoate Openeye Name: ethyl 2-[2-chloro-5-nitro-6-(2-pyridyl)cyclohexa-1,5-dien-1-yl]oxypropanoate CAS Name: 2-[[2-chloro-5-nitro-6-(2-pyridinyl)-1-cyclohexa-1,5-dienyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-5-nitro-6-pyridin-2-ylcyclohexa-1,5-dien-1-yl)oxypropanoate Traditional Name: 2-[2-chloro-5-nitro-6-(2-pyridyl)cyclohexa-1,5-dien-1-yl]oxypropionic acid ethyl ester Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(CCC(=C1C2=CC=CC=N2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C(C)OC1=C(CCC(=C1C2=CC=CC=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O5/c1-3-23-16(20)10(2)24-15-11(17)7-8-13(19(21)22)14(15)12-6-4-5-9-18-12/h4-6,9-10H,3,7-8H2,1-2H3