1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C16H11ClN4O5 MolecularWeight: 374.73534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O5/c1-9(15-19-14(20-26-15)10-3-2-6-18-8-10)25-16(22)12-5-4-11(17)7-13(12)21(23)24/h2-9H,1H3