(2-nitrophenyl)methyl (E)-octadec-9-enoate

Systemtic Name: (2-nitrophenyl)methyl (E)-octadec-9-enoate Openeye Name: (2-nitrophenyl)methyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-nitrobenzyl) ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25(27)30-22-23-19-17-18-20-24(23)26(28)29/h9-10,17-20H,2-8,11-16,21-22H2,1H3/b10-9+