propan-2-yl 4-[[3-bromanyl-6-(1,2,4-triazol-4-yl)pyridin-2-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[3-bromanyl-6-(1,2,4-triazol-4-yl)pyridin-2-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[3-bromo-6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-bromo-6-(1,2,4-triazol-4-yl)-2-pyridinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-bromo-6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-bromo-6-(1,2,4-triazol-4-yl)picolinoyl]amino]benzoic acid isopropyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br

InChI

InChI=1S/C18H16BrN5O3/c1-11(2)27-18(26)12-3-5-13(6-4-12)22-17(25)16-14(19)7-8-15(23-16)24-9-20-21-10-24/h3-11H,1-2H3,(H,22,25)