methyl (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate Openeye Name: methyl (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-5-isobutyl-7-methyl-oct-2-enoate CAS Name: (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-7-methyl-5-(2-methylpropyl)-2-octenoic acid methyl ester IUPAC Name: methyl (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-7-methyl-5-(2-methylpropyl)oct-2-enoate Traditional Name: (E)-2-[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-5-isobutyl-7-methyl-oct-2-enoic acid methyl ester Formula: C21H37NO6 MolecularWeight: 399.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC=C(CC1(COC(OC1)(C)C)[N+](=O)[O-])C(=O)OC)CC(C)C

Isomeric SMILES

CC(C)CC(C/C=C(\CC1(COC(OC1)(C)C)[N+](=O)[O-])/C(=O)OC)CC(C)C

InChI

InChI=1S/C21H37NO6/c1-15(2)10-17(11-16(3)4)8-9-18(19(23)26-7)12-21(22(24)25)13-27-20(5,6)28-14-21/h9,15-17H,8,10-14H2,1-7H3/b18-9+