methyl 3-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]benzoate Traditional Name: 3-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]carbamoyl]benzoic acid methyl ester Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H13N5O3/c1-24-16(23)12-4-2-3-11(7-12)15(22)20-13-5-6-14(18-8-13)21-10-17-9-19-21/h2-10H,1H3,(H,20,22)