ethyl 2-ethanoyl-3-(2-nitropropan-2-yl)tridecanoate

Systemtic Name: ethyl 2-ethanoyl-3-(2-nitropropan-2-yl)tridecanoate Openeye Name: ethyl 2-acetyl-3-(1-methyl-1-nitro-ethyl)tridecanoate CAS Name: 2-acetyl-3-(2-nitropropan-2-yl)tridecanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(2-nitropropan-2-yl)tridecanoate Traditional Name: 2-acetyl-3-(1-methyl-1-nitro-ethyl)tridecanoic acid ethyl ester Formula: C20H37NO5 MolecularWeight: 371.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C(=O)C)C(=O)OCC)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C(C(=O)C)C(=O)OCC)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C20H37NO5/c1-6-8-9-10-11-12-13-14-15-17(20(4,5)21(24)25)18(16(3)22)19(23)26-7-2/h17-18H,6-15H2,1-5H3