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

Systemtic Name: ethyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H31N2O7P MolecularWeight: 466.464501

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C)OCCC

Isomeric SMILES

CCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C)OCCC

InChI

InChI=1S/C22H31N2O7P/c1-6-12-30-32(28,31-13-7-2)21-16(5)23-15(4)19(22(25)29-8-3)20(21)17-10-9-11-18(14-17)24(26)27/h9-11,14,20,23H,6-8,12-13H2,1-5H3