(3-methoxyphenyl) 4-[(E)-2-nitroethenyl]hexadecanoate

Systemtic Name: (3-methoxyphenyl) 4-[(E)-2-nitroethenyl]hexadecanoate Openeye Name: (3-methoxyphenyl) 4-[(E)-2-nitrovinyl]hexadecanoate CAS Name: 4-[(E)-2-nitroethenyl]hexadecanoic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 4-[(E)-2-nitroethenyl]hexadecanoate Traditional Name: (E)-4-lauryl-6-nitro-hex-5-enoic acid (3-methoxyphenyl) ester Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(=O)OC1=CC(=CC=C1)OC)C=C[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCC(=O)OC1=CC(=CC=C1)OC)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C25H39NO5/c1-3-4-5-6-7-8-9-10-11-12-14-22(19-20-26(28)29)17-18-25(27)31-24-16-13-15-23(21-24)30-2/h13,15-16,19-22H,3-12,14,17-18H2,1-2H3/b20-19+