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

Systemtic Name: ethyl 4-[[3-bromanyl-6-(1,2,4-triazol-4-yl)pyridin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O3/c1-2-26-17(25)11-3-5-12(6-4-11)21-16(24)15-13(18)7-8-14(22-15)23-9-19-20-10-23/h3-10H,2H2,1H3,(H,21,24)