methyl 5-diethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-bis(oxidanyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-diethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-bis(oxidanyl)pyridine-3-carboxylate Openeye Name: methyl 5-diethoxyphosphoryl-1,4-dihydroxy-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 5-diethoxyphosphoryl-1,4-dihydroxy-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-diethoxyphosphoryl-1,4-dihydroxy-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate Traditional Name: 5-diethoxyphosphoryl-1,4-dihydroxy-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid methyl ester Formula: C19H25N2O9P MolecularWeight: 456.383561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(N(C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)OC)C)O)C)OCC

Isomeric SMILES

CCOP(=O)(C1=C(N(C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)OC)C)O)C)OCC

InChI

InChI=1S/C19H25N2O9P/c1-6-29-31(27,30-7-2)17-13(4)20(24)12(3)16(18(22)28-5)19(17,23)14-9-8-10-15(11-14)21(25)26/h8-11,23-24H,6-7H2,1-5H3