methyl 5-di(hexan-3-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-di(hexan-3-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-[bis(1-ethylbutoxy)phosphoryl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-di(hexan-3-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-di(hexan-3-yloxy)phosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-[bis(1-ethylbutoxy)phosphoryl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C27H41N2O7P MolecularWeight: 536.597401

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)OP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)OC(CC)CCC

Isomeric SMILES

CCCC(CC)OP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)OC(CC)CCC

InChI

InChI=1S/C27H41N2O7P/c1-8-13-22(10-3)35-37(33,36-23(11-4)14-9-2)26-19(6)28-18(5)24(27(30)34-7)25(26)20-15-12-16-21(17-20)29(31)32/h12,15-17,22-23,25,28H,8-11,13-14H2,1-7H3