methyl 4-ethyl-2-nitro-3-phenyl-hexanoate

Systemtic Name: methyl 4-ethyl-2-nitro-3-phenyl-hexanoate Openeye Name: methyl 4-ethyl-2-nitro-3-phenyl-hexanoate CAS Name: 4-ethyl-2-nitro-3-phenylhexanoic acid methyl ester IUPAC Name: methyl 4-ethyl-2-nitro-3-phenylhexanoate Traditional Name: 4-ethyl-2-nitro-3-phenyl-hexanoic acid methyl ester Formula: C15H21NO4 MolecularWeight: 281.31685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=CC=C1)C(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(C1=CC=CC=C1)[13CH]([13C](=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-4-11(5-2)13(12-9-7-6-8-10-12)14(16(18)19)15(17)20-3/h6-11,13-14H,4-5H2,1-3H3/i14+1,15+1