5-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Openeye Name: 5-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C19H21N2O6P MolecularWeight: 404.353601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])P3OCC(CO3)(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])P3OCC(CO3)(C)C

InChI

InChI=1S/C19H21N2O6P/c1-11-15(18(22)23)16(13-6-5-7-14(8-13)21(24)25)17(12(2)20-11)28-26-9-19(3,4)10-27-28/h5-8H,9-10H2,1-4H3,(H,22,23)