(4-nitrophenyl)methyl (E)-2-methyloct-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-2-methyloct-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-methyloct-2-enoate CAS Name: (E)-2-methyl-2-octenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-methyloct-2-enoate Traditional Name: (E)-2-methyloct-2-enoic acid (4-nitrobenzyl) ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC/C=C(\C)/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-3-4-5-6-7-13(2)16(18)21-12-14-8-10-15(11-9-14)17(19)20/h7-11H,3-6,12H2,1-2H3/b13-7+