[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridine-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-picolinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H16Cl3N3O3 MolecularWeight: 380.65414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C14H16Cl3N3O3/c15-9-11(18)10(16)13(17)19-12(9)14(22)23-7-8(21)20-5-3-1-2-4-6-20/h1-7H2,(H2,18,19)