2-propoxyethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-propoxyethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-propoxyethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-propoxyethyl ester Formula: C27H41N2O8P MolecularWeight: 552.596801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C)OCCCC

Isomeric SMILES

CCCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C)OCCCC

InChI

InChI=1S/C27H41N2O8P/c1-6-9-15-36-38(33,37-16-10-7-2)26-21(5)28-20(4)24(27(30)35-18-17-34-14-8-3)25(26)22-12-11-13-23(19-22)29(31)32/h11-13,19,25,28H,6-10,14-18H2,1-5H3