5-di(butan-2-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate

Systemtic Name: 5-di(butan-2-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate Openeye Name: 5-disec-butoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate CAS Name: 5-di(butan-2-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate IUPAC Name: 5-di(butan-2-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate Traditional Name: 5-disec-butoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propoxyethyl)-4H-pyridine-3-carboxylate Formula: C27H40N2O8P- MolecularWeight: 551.588861

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C(=C(C(C(=C1C)P(=O)(OC(C)CC)OC(C)CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

CCCOCCN1C(=C(C(C(=C1C)P(=O)(OC(C)CC)OC(C)CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

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