1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-azanyl-5-bromanyl-benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-azanyl-5-bromanyl-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic 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 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C16H13BrN4O3 MolecularWeight: 389.20342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C16H13BrN4O3/c1-9(23-16(22)12-7-11(17)4-5-13(12)18)15-20-14(21-24-15)10-3-2-6-19-8-10/h2-9H,18H2,1H3