ethyl 5-dicyclopentyloxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-dicyclopentyloxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-[bis(cyclopentoxy)phosphoryl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dicyclopentyloxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-dicyclopentyloxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-[bis(cyclopentoxy)phosphoryl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H35N2O7P MolecularWeight: 518.539061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3CCCC3)OC4CCCC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OC3CCCC3)OC4CCCC4)C)C

InChI

InChI=1S/C26H35N2O7P/c1-4-33-26(29)23-17(2)27-18(3)25(24(23)19-10-9-11-20(16-19)28(30)31)36(32,34-21-12-5-6-13-21)35-22-14-7-8-15-22/h9-11,16,21-22,24,27H,4-8,12-15H2,1-3H3