diethyl 5-azanyl-2-chloranyl-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-2-chloranyl-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylate Openeye Name: diethyl 5-amino-2-chloro-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylate CAS Name: 5-amino-2-chloro-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-2-chloro-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylate Traditional Name: 5-amino-2-chloro-6-(4-phosphonooxyphenyl)pyridine-3,4-dicarboxylic acid diethyl ester Formula: C17H18ClN2O8P MolecularWeight: 444.760181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=C(C=C2)OP(=O)(O)O)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=C(C=C2)OP(=O)(O)O)Cl)C(=O)OCC

InChI

InChI=1S/C17H18ClN2O8P/c1-3-26-16(21)11-12(17(22)27-4-2)15(18)20-14(13(11)19)9-5-7-10(8-6-9)28-29(23,24)25/h5-8H,3-4,19H2,1-2H3,(H2,23,24,25)