[4-[3-(ethylaminomethyl)-2-methyl-4-nitrooxy-3-oxidanyl-pentan-2-yl]oxy-2,3,6-trimethyl-phenyl] ethanoate

Systemtic Name: [4-[3-(ethylaminomethyl)-2-methyl-4-nitrooxy-3-oxidanyl-pentan-2-yl]oxy-2,3,6-trimethyl-phenyl] ethanoate Openeye Name: [4-[2-(ethylaminomethyl)-2-hydroxy-1,1-dimethyl-3-nitrooxy-butoxy]-2,3,6-trimethyl-phenyl] acetate CAS Name: acetic acid [4-[3-(ethylaminomethyl)-3-hydroxy-2-methyl-4-nitrooxypentan-2-yl]oxy-2,3,6-trimethylphenyl] ester IUPAC Name: [4-[3-(ethylaminomethyl)-3-hydroxy-2-methyl-4-nitrooxypentan-2-yl]oxy-2,3,6-trimethylphenyl] acetate Traditional Name: acetic acid [4-[2-(ethylaminomethyl)-2-hydroxy-1,1-dimethyl-3-nitrooxy-butoxy]-2,3,6-trimethyl-phenyl] ester Formula: C20H32N2O7 MolecularWeight: 412.47728

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C(C)O[N+](=O)[O-])(C(C)(C)OC1=C(C(=C(C(=C1)C)OC(=O)C)C)C)O

Isomeric SMILES

CCNCC(C(C)O[N+](=O)[O-])(C(C)(C)OC1=C(C(=C(C(=C1)C)OC(=O)C)C)C)O

InChI

InChI=1S/C20H32N2O7/c1-9-21-11-20(24,15(5)29-22(25)26)19(7,8)28-17-10-12(2)18(27-16(6)23)14(4)13(17)3/h10,15,21,24H,9,11H2,1-8H3