2-methylidene-3-(3-nitrophenyl)icosanoate

Systemtic Name: 2-methylidene-3-(3-nitrophenyl)icosanoate Openeye Name: 2-methylene-3-(3-nitrophenyl)icosanoate CAS Name: 2-methylene-3-(3-nitrophenyl)eicosanoate IUPAC Name: 2-methylidene-3-(3-nitrophenyl)icosanoate Traditional Name: 2-[1-(3-nitrophenyl)octadecyl]acrylate Formula: C27H42NO4- MolecularWeight: 444.62668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(23(2)27(29)30)24-19-18-20-25(22-24)28(31)32/h18-20,22,26H,2-17,21H2,1H3,(H,29,30)/p-1