methyl (E)-2-[2-(2,2-dimethylpropanoyloxymethyl)-2-nitro-3-oxidanyl-propyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-2-[2-(2,2-dimethylpropanoyloxymethyl)-2-nitro-3-oxidanyl-propyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate Openeye Name: methyl (E)-2-[2-(2,2-dimethylpropanoyloxymethyl)-3-hydroxy-2-nitro-propyl]-5-isobutyl-7-methyl-oct-2-enoate CAS Name: (E)-2-[2-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-hydroxy-2-nitropropyl]-7-methyl-5-(2-methylpropyl)-2-octenoic acid methyl ester IUPAC Name: methyl (E)-2-[2-(2,2-dimethylpropanoyloxymethyl)-3-hydroxy-2-nitropropyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate Traditional Name: (E)-5-isobutyl-7-methyl-2-(2-methylol-2-nitro-3-pivaloyloxy-propyl)oct-2-enoic acid methyl ester Formula: C23H41NO7 MolecularWeight: 443.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC=C(CC(CO)(COC(=O)C(C)(C)C)[N+](=O)[O-])C(=O)OC)CC(C)C

Isomeric SMILES

CC(C)CC(C/C=C(\CC(CO)(COC(=O)C(C)(C)C)[N+](=O)[O-])/C(=O)OC)CC(C)C

InChI

InChI=1S/C23H41NO7/c1-16(2)11-18(12-17(3)4)9-10-19(20(26)30-8)13-23(14-25,24(28)29)15-31-21(27)22(5,6)7/h10,16-18,25H,9,11-15H2,1-8H3/b19-10+